data_2yrn_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 2yrn _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.365 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 42.3 mt -41.29 -55.33 2.74 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.792 0.33 . . . . 0.0 110.897 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -58.02 -37.95 75.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.909 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -65.11 -38.34 90.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.864 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.434 ' O ' ' C ' ' A' ' 20' ' ' LYS . 25.1 mt-30 -60.57 -50.16 74.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.87 -179.872 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.434 ' C ' ' O ' ' A' ' 19' ' ' GLN . 34.4 tttt -35.05 -36.53 0.06 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.885 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.446 ' O ' ' C ' ' A' ' 22' ' ' ILE . 1.6 tmt_? -75.84 -64.43 1.09 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.878 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.446 ' C ' ' O ' ' A' ' 21' ' ' ARG . 91.2 mt -33.85 -50.51 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.119 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.509 ' CD1' ' HB3' ' A' ' 116' ' ' PHE . 26.6 m-85 -64.1 -49.75 71.02 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.94 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 41.5 m -43.64 -48.09 7.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.109 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 34.5 t0 -65.4 -43.85 89.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.858 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . 0.411 ' CZ2' ' HA ' ' A' ' 120' ' ' SER . 91.7 t90 -55.02 -41.05 70.84 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.911 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.416 ' O ' ' N ' ' A' ' 30' ' ' TYR . . . -76.8 -56.64 4.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.113 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 32.0 m-20 -38.7 -39.71 0.53 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.863 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -54.95 -44.2 74.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.858 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.512 ' CZ ' HG22 ' A' ' 60' ' ' VAL . 72.4 m-85 -69.86 -24.01 63.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 -179.795 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 15.2 mt -79.82 -56.92 3.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.934 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -57.0 -49.65 75.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.103 179.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 9.1 ptmt -46.62 -38.7 9.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.9 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 37.9 p -90.85 31.92 1.03 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 51.85 61.5 6.42 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.518 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.41 ' CD2' ' O ' ' A' ' 38' ' ' ARG . 85.4 t60 -119.39 85.47 2.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.809 0.338 . . . . 0.0 110.864 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 36' ' ' HIS . 35.2 mttt -37.59 -71.28 0.08 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.865 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.41 ' O ' ' CD2' ' A' ' 36' ' ' HIS . 26.7 ttm180 -43.85 150.54 0.25 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.894 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 39.1 mt -133.17 179.91 5.9 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.903 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.413 HD12 ' CD1' ' A' ' 56' ' ' ILE . 95.9 mt -96.63 107.59 20.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.127 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 13.5 mmm-85 -83.66 -58.11 2.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.877 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.404 ' O ' ' N ' ' A' ' 45' ' ' GLN . 0.6 OUTLIER -115.0 101.33 8.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.863 179.943 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 13.7 tp -44.93 -41.71 7.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.934 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.436 ' CG ' HD13 ' A' ' 109' ' ' LEU . 31.3 mt-30 -66.35 -29.64 69.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.931 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.404 ' N ' ' O ' ' A' ' 42' ' ' ASP . 10.4 mt-30 -102.83 7.11 39.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.924 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -100.64 -9.27 22.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.86 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 29.8 m -130.4 34.3 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.149 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 22.4 p -92.02 -25.02 19.01 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.131 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -108.81 -14.55 14.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.87 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 80.11 -17.08 10.29 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.456 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 91.0 t -61.79 -66.0 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.858 0.361 . . . . 0.0 111.126 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.8 tt -59.32 -27.59 66.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.906 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.8 tp -65.76 -53.57 38.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.919 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.24 -37.04 81.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.099 179.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 14.6 mt-30 -48.39 -22.89 0.78 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.94 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.413 ' CD1' HD12 ' A' ' 40' ' ' ILE . 11.6 mt -95.49 -48.83 12.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.107 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.456 HG23 ' CE1' ' A' ' 88' ' ' PHE . 47.2 mt -52.65 -54.66 14.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.148 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -53.61 -21.41 6.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.898 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 85.5 t -86.24 -67.62 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.077 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.512 HG22 ' CZ ' ' A' ' 30' ' ' TYR . 13.9 p -52.95 -35.39 22.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.091 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -85.83 -24.47 26.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.059 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 8.3 m-80 68.18 38.89 2.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.914 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -139.55 160.26 40.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.2 139.27 41.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 20.1 mt -108.29 102.27 13.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.113 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -74.64 -14.46 60.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.916 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 64.0 m-20 -87.54 31.32 0.75 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.85 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 37.0 mm -111.83 118.62 58.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.158 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 59.9 t30 -44.83 -53.74 7.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.893 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 95.49 -47.95 1.9 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.542 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 92.1 m -129.53 80.87 71.07 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.672 0.748 . . . . 0.0 110.868 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 132.23 22.91 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.646 2.231 . . . . 0.0 112.303 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 22.9 mttt -127.95 -49.84 1.34 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 20.4 t30 -81.46 161.42 23.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.857 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.419 ' HB2' ' NH2' ' A' ' 105' ' ' ARG . 0.3 OUTLIER -61.96 -29.12 70.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.888 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 76.3 p -84.74 -45.46 12.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.876 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -41.77 -48.0 4.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.895 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 14.4 mtt -54.75 -37.95 66.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.836 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 4.3 mm -53.28 -59.07 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.169 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -41.14 -43.16 2.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.939 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -54.01 -66.0 0.47 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.939 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 16.1 mt -56.52 -40.46 68.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.087 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -57.15 -51.07 70.8 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.806 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -54.7 -38.2 66.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.085 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 49.3 m -66.23 -40.29 90.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.908 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 67.8 mt -65.15 -49.53 69.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.897 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 57.1 m-80 -64.52 -35.25 80.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.915 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.456 ' CE1' HG23 ' A' ' 57' ' ' ILE . 1.7 t80 -67.13 -36.22 81.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 27.8 mt -72.46 -45.43 59.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -50.84 -44.88 59.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.094 179.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -60.89 -28.79 69.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.135 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 25.9 mmtp -77.88 -10.27 59.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 102.79 27.73 6.56 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.51 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.461 ' CD1' ' HB2' ' A' ' 122' ' ' TYR . 78.2 mt . . . . . 0 C--N 1.329 -0.287 0 CA-C-O 120.893 0.378 . . . . 0.0 111.122 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 71.7 mt -62.88 -178.41 0.21 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.85 0.357 . . . . 0.0 110.899 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 13.1 m -162.95 107.3 1.09 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.844 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -42.94 -44.14 4.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.112 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -57.78 -52.44 65.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.878 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 32.8 mm-40 -55.03 -42.04 72.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 23.2 mt -65.15 -41.7 92.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.126 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . 0.419 ' NH2' ' HB2' ' A' ' 75' ' ' ARG . 15.8 ttt-85 -61.03 -34.71 75.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.835 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 25.7 m-20 -72.62 -26.56 61.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.895 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 100.82 21.15 12.61 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.446 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 60.3 t30 -67.16 106.85 2.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.879 0.371 . . . . 0.0 110.923 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.447 ' O ' ' C ' ' A' ' 110' ' ' LYS . 10.3 tp -42.86 -63.95 0.71 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.907 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . 0.447 ' C ' ' O ' ' A' ' 109' ' ' LEU . 15.9 mmtm -34.32 -36.02 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 179.825 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . 0.44 ' N ' ' O ' ' A' ' 109' ' ' LEU . . . -78.0 -72.79 0.35 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.13 179.806 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 5.3 mp -37.82 -52.28 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.149 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 17.0 mt -52.53 -46.91 66.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.905 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -57.69 -35.7 75.32 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.511 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.518 ' CD2' ' N ' ' A' ' 116' ' ' PHE . 0.2 OUTLIER -66.46 -57.21 7.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.839 0.352 . . . . 0.0 110.942 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . 0.518 ' N ' ' CD2' ' A' ' 115' ' ' LEU . 12.4 m-85 -65.64 -14.76 61.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.879 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . 0.449 ' CD1' ' C ' ' A' ' 117' ' ' PHE . 3.3 t80 -78.56 -31.89 47.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 8.8 p -93.8 -42.4 9.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.877 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 12.5 tp -49.58 -59.1 4.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.928 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' SER . . . . . 0.411 ' HA ' ' CZ2' ' A' ' 26' ' ' TRP . 41.4 t -44.3 -40.82 5.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 39.5 mtp85 -51.07 -54.45 24.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.896 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' TYR . . . . . 0.461 ' HB2' ' CD1' ' A' ' 94' ' ' ILE . 1.3 t80 -40.57 -50.56 2.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.914 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 21.5 tptt -67.4 -55.12 15.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.858 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 59.3 mm-40 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.893 -180.0 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.458 ' N ' ' HB2' ' A' ' 18' ' ' ASP . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 87.5 mt -43.87 -60.91 1.62 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.818 0.342 . . . . 0.0 110.957 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -55.64 -36.68 67.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.891 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.458 ' HB2' ' N ' ' A' ' 15' ' ' GLY . 0.9 OUTLIER -64.21 -41.45 97.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.85 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.408 ' O ' ' C ' ' A' ' 20' ' ' LYS . 35.5 mt-30 -53.52 -51.69 62.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 19' ' ' GLN . 33.5 tttt -36.25 -46.28 0.51 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.918 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.441 ' HD2' ' N ' ' A' ' 22' ' ' ILE . 1.4 tmm_? -60.25 -57.85 11.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.441 ' N ' ' HD2' ' A' ' 21' ' ' ARG . 72.9 mt -44.84 -43.47 2.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.145 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 25.2 m-85 -73.05 -46.23 52.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 53.7 m -48.06 -55.85 9.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.135 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -64.09 -32.67 74.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.852 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 81.4 t90 -61.52 -47.26 86.42 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.907 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.52 -43.42 69.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.074 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 40.9 m-20 -46.65 -52.01 14.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.921 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -41.18 -43.9 2.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.86 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.52 ' CE2' ' HB ' ' A' ' 60' ' ' VAL . 96.8 m-85 -66.43 -44.64 82.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.915 -179.838 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 57.0 mt -62.86 -39.02 93.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.948 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -71.14 -52.51 18.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.1 179.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.4 pttm -60.18 -30.81 69.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.911 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.9 t -80.78 -7.65 59.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.848 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.99 63.04 1.85 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.522 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 2.6 t-80 -116.62 156.6 26.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.864 0.364 . . . . 0.0 110.847 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 54.4 mmtt -94.0 -72.85 0.59 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.879 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 8.3 ttm-85 -63.59 131.69 48.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.906 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 39.6 mt -100.48 -175.14 2.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.943 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 57.9 mt -96.71 102.57 13.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.164 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.404 ' N ' ' OD2' ' A' ' 46' ' ' ASP . 15.5 mmt-85 -79.46 -64.26 1.23 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.836 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.402 ' O ' ' N ' ' A' ' 45' ' ' GLN . 4.4 m-20 -115.12 98.15 6.62 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.516 HD11 ' CE2' ' A' ' 116' ' ' PHE . 14.7 tp -43.52 -31.9 0.81 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.911 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 59.6 mt-30 -69.98 -40.22 75.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.437 ' HA ' ' CG2' ' A' ' 48' ' ' THR . 6.7 mm100 -84.57 -56.48 3.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.954 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.404 ' OD2' ' N ' ' A' ' 41' ' ' ARG . 28.4 m-20 -42.69 -23.66 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.839 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.45 ' CG2' ' O ' ' A' ' 43' ' ' LEU . 10.3 m -108.55 39.78 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.116 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.437 ' CG2' ' HA ' ' A' ' 45' ' ' GLN . 18.9 p -99.57 -27.43 13.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.128 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -108.04 -17.0 14.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 86.51 -21.31 18.51 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.509 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 70.0 t -54.55 -70.55 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.86 0.362 . . . . 0.0 111.138 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.469 ' HG ' ' NE2' ' A' ' 55' ' ' GLN . 2.3 tt -54.61 -37.56 65.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.941 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.5 tp -56.3 -46.91 79.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.94 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -67.85 -38.99 83.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.071 179.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.469 ' NE2' ' HG ' ' A' ' 52' ' ' LEU . 28.0 mt-30 -41.57 -30.23 0.21 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.921 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.476 ' O ' ' N ' ' A' ' 59' ' ' VAL . 5.0 mp -92.14 -58.08 3.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.102 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 61.7 mt -39.22 -51.18 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.147 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 -60.58 -34.03 73.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.909 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.476 ' N ' ' O ' ' A' ' 56' ' ' ILE . 69.4 t -74.57 -58.51 4.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.144 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.52 ' HB ' ' CE2' ' A' ' 30' ' ' TYR . 6.1 p -58.83 -25.95 30.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.08 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -98.53 -18.56 18.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.091 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 7.5 m120 65.82 30.78 9.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -133.24 159.76 39.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.847 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -108.06 137.5 45.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.886 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.405 ' HB ' ' CG1' ' A' ' 68' ' ' ILE . 35.6 mt -99.68 102.26 13.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.129 179.846 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -71.85 -9.66 58.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.839 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 46.1 t0 -94.32 34.98 1.22 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.863 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.405 ' CG1' ' HB ' ' A' ' 65' ' ' ILE . 29.3 mm -114.85 121.51 67.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.162 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.404 ' ND2' ' HA ' ' A' ' 72' ' ' PRO . 44.1 t30 -54.56 -52.96 60.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 101.28 -52.32 0.9 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.469 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 78.1 m -133.38 80.98 56.51 Favored Pre-proline 0 C--N 1.327 -0.378 0 CA-C-O 121.644 0.735 . . . . 0.0 110.853 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.404 ' HA ' ' ND2' ' A' ' 69' ' ' ASN . 53.9 Cg_endo -69.76 122.79 9.46 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.693 2.262 . . . . 0.0 112.325 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 7.1 mmmm -110.96 -37.86 5.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.43 ' HB2' ' CG ' ' A' ' 77' ' ' GLN . 64.5 m-20 -79.92 166.57 21.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.916 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 1.1 tmt_? -72.69 -34.1 66.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.2 m -86.59 -29.02 22.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . 0.43 ' CG ' ' HB2' ' A' ' 74' ' ' ASN . 6.4 mm-40 -48.19 -39.4 20.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.879 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 12.8 mtt -61.21 -43.1 99.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.848 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 20.8 mm -45.21 -58.0 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.149 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . 0.418 ' O ' ' C ' ' A' ' 81' ' ' ASN . 20.6 mt-10 -44.18 -60.47 1.88 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.85 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.418 ' C ' ' O ' ' A' ' 80' ' ' GLU . 5.2 m-20 -36.16 -72.29 0.06 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 22.4 mt -48.93 -38.17 10.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.177 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -57.76 -49.99 74.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.897 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -52.59 -39.25 61.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.142 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 57.9 m -65.76 -37.79 87.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.885 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 82.0 mt -68.23 -42.83 79.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 69.2 m-80 -75.21 -33.74 61.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.88 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 12.3 t80 -67.92 -31.19 70.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.907 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 42.2 mt -79.12 -45.47 19.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.923 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -53.25 -42.92 66.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.113 179.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -60.55 -20.8 61.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.111 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 21.8 mmtp -86.56 -16.6 36.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 112.49 33.38 2.11 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.46 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 67.1 mt . . . . . 0 C--N 1.329 -0.326 0 CA-C-O 120.886 0.374 . . . . 0.0 111.096 -179.952 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 39.3 mt -68.07 154.54 41.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.787 0.327 . . . . 0.0 110.921 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 7.0 m -134.64 108.16 7.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.829 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -43.52 -38.56 2.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.139 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -61.03 -53.35 58.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -52.82 -44.82 66.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.869 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 17.4 mt -59.1 -46.44 91.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.158 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 18.8 ttt-85 -58.23 -35.67 72.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.892 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 84.3 m-20 -72.61 -22.79 60.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 93.35 36.49 5.9 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.477 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . 0.414 ' O ' ' N ' ' A' ' 111' ' ' ALA . 0.1 OUTLIER -80.9 102.23 9.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.882 0.372 . . . . 0.0 110.869 -179.853 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.414 ' CD2' HD12 ' A' ' 113' ' ' LEU . 2.6 tp -37.87 -55.3 1.21 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 12.6 mmtp -45.42 -40.75 8.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . 0.414 ' N ' ' O ' ' A' ' 108' ' ' ASN . . . -70.5 -63.66 1.05 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.14 179.793 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 5.3 mp -46.75 -61.45 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.132 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.414 HD12 ' CD2' ' A' ' 109' ' ' LEU . 85.1 mt -44.82 -45.3 10.05 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.923 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -58.34 -32.91 68.95 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.511 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.575 ' CD2' ' CD2' ' A' ' 116' ' ' PHE . 0.1 OUTLIER -73.26 -58.44 3.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.816 0.341 . . . . 0.0 110.916 -179.933 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . 0.575 ' CD2' ' CD2' ' A' ' 115' ' ' LEU . 12.1 m-85 -63.58 -20.48 65.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.851 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 12.8 t80 -70.54 -33.07 70.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 5.0 m -93.8 -43.6 8.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 10.4 tp -49.03 -57.83 5.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.928 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.3 t -42.34 -45.7 4.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.838 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 35.5 mtp85 -47.45 -50.94 21.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.863 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' TYR . . . . . 0.406 ' CD1' ' C ' ' A' ' 122' ' ' TYR . 2.2 t80 -47.47 -51.35 20.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.967 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 27.9 tptt -64.21 -48.57 75.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.87 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.929 179.963 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.411 ' O ' ' N ' ' A' ' 18' ' ' ASP . . . . . . . . 0 N--CA 1.452 -0.287 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 76.0 mt -42.95 -46.6 5.47 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.768 0.318 . . . . 0.0 110.877 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -63.4 -32.59 74.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.88 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.411 ' N ' ' O ' ' A' ' 15' ' ' GLY . 8.5 m-20 -74.05 -33.96 63.9 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.407 ' O ' ' C ' ' A' ' 20' ' ' LYS . 22.4 mt-30 -64.06 -49.72 71.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.905 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 19' ' ' GLN . 31.2 tttt -37.39 -47.55 0.87 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.931 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.41 ' O ' ' N ' ' A' ' 24' ' ' THR . 5.5 tmm_? -67.15 -58.79 4.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 94.5 mt -40.44 -45.35 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.157 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.422 ' CG ' ' HB3' ' A' ' 116' ' ' PHE . 19.5 m-85 -70.08 -36.52 74.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.902 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.41 ' N ' ' O ' ' A' ' 21' ' ' ARG . 70.5 m -56.62 -66.54 0.42 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.154 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -48.64 -33.44 9.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.879 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . 0.558 ' CZ2' ' HA ' ' A' ' 120' ' ' SER . 90.3 t90 -65.33 -51.86 57.71 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.926 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.48 ' HB1' ' CE1' ' A' ' 116' ' ' PHE . . . -68.19 -51.99 39.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.132 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -46.85 -40.41 13.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.85 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -51.4 -36.73 44.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.84 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 71.8 m-85 -73.03 -19.51 61.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.94 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 32.0 mt -84.29 -42.16 16.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.947 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -72.21 -28.08 62.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.129 179.77 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 3.4 ptmm? -73.85 -39.72 63.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.862 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 31.4 m -82.28 12.79 4.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.868 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 61.65 52.92 47.68 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.43 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.569 ' CD2' ' HB3' ' A' ' 38' ' ' ARG . 65.5 t60 -93.34 134.04 35.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.84 0.352 . . . . 0.0 110.835 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 22.7 mmtm -86.98 50.97 2.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.903 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.569 ' HB3' ' CD2' ' A' ' 36' ' ' HIS . 23.8 ttm180 -175.62 163.45 2.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.866 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 50.0 mt -137.41 -178.06 5.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.93 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 81.8 mt -104.18 111.56 34.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.152 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 3.3 tpp85 -86.19 -61.05 1.83 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.872 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.495 ' O ' ' N ' ' A' ' 46' ' ' ASP . 3.3 m-20 -115.1 107.59 15.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.852 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 13.2 tp -54.58 -39.88 68.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.918 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.452 ' NE2' ' HB2' ' A' ' 109' ' ' LEU . 32.7 mt-30 -76.11 -1.98 28.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 70.2 mt-30 -129.89 -1.65 4.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.903 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.495 ' N ' ' O ' ' A' ' 42' ' ' ASP . 0.4 OUTLIER -93.01 -16.23 25.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.833 179.948 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 18.0 m -118.02 34.09 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.085 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 37.7 p -92.71 -33.14 14.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.14 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -97.68 -10.77 24.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.896 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 70.16 -1.74 17.2 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.485 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 66.8 t -74.12 -69.39 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.814 0.34 . . . . 0.0 111.157 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.7 tt -56.29 -35.65 67.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.944 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 6.0 tp -52.52 -58.81 5.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.954 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -53.82 -46.73 71.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.1 179.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.406 ' NE2' ' CE1' ' A' ' 36' ' ' HIS . 18.6 mt-30 -41.72 -28.04 0.13 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.92 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 17.4 mt -91.35 -48.45 13.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.167 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 62.7 mt -54.45 -55.9 12.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.116 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -48.69 -30.71 5.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.92 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 89.5 t -76.61 -66.31 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.087 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 5.9 p -53.67 -26.86 14.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.134 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -97.22 -16.21 20.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.101 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 11.8 m-80 60.92 31.19 19.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.901 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -129.79 163.23 26.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.872 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 4.6 ttmt -113.13 136.54 52.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.904 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.434 ' CG2' HG12 ' A' ' 68' ' ' ILE . 19.4 mt -103.07 103.45 15.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.142 179.858 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -75.7 -12.38 60.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.862 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 29.6 m-20 -91.73 35.1 0.96 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.875 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.434 HG12 ' CG2' ' A' ' 65' ' ' ILE . 40.8 mm -114.4 126.39 71.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.133 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 56.9 t30 -57.85 -70.88 0.12 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.927 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 112.2 -46.39 1.18 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.518 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 8.8 m -133.96 81.64 51.26 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.629 0.728 . . . . 0.0 110.862 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 140.63 43.13 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.679 2.253 . . . . 0.0 112.368 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 71.4 mttt -129.81 -32.76 1.86 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.905 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -93.51 168.83 10.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.902 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -71.34 -28.88 64.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.904 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.426 ' O ' ' C ' ' A' ' 77' ' ' GLN . 82.9 p -90.11 -40.76 12.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.857 -179.802 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . 0.426 ' C ' ' O ' ' A' ' 76' ' ' SER . 7.2 mm-40 -36.11 -40.96 0.23 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.903 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' MET . . . . . 0.408 ' O ' ' C ' ' A' ' 79' ' ' ILE . 20.2 mtt -62.81 -50.07 72.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.419 ' N ' ' O ' ' A' ' 76' ' ' SER . 36.0 mm -37.38 -54.72 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.104 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 39.6 mm-40 -52.12 -45.34 64.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.905 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -51.08 -63.32 1.17 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.883 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 17.5 mt -59.92 -38.53 76.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.145 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -57.4 -48.48 78.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.847 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -52.53 -41.94 63.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.129 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 58.7 m -65.18 -40.49 94.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 34.7 mt -67.11 -45.72 76.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.914 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 69.2 m-80 -67.37 -35.12 78.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.898 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.461 ' CD1' ' C ' ' A' ' 88' ' ' PHE . 1.4 t80 -67.6 -42.84 81.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.879 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 30.0 mt -66.56 -40.36 88.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.9 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -53.23 -41.42 65.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.124 179.781 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -62.67 -9.8 10.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.089 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 51.3 mmtt -97.45 -13.05 22.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 110.3 21.81 6.77 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.494 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 64.0 mt . . . . . 0 C--N 1.328 -0.337 0 CA-C-O 120.867 0.365 . . . . 0.0 111.14 179.996 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.373 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 63.3 mt -66.04 165.17 13.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.808 0.337 . . . . 0.0 110.932 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 17.0 m -141.62 106.56 4.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.852 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -44.94 -44.25 9.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.137 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -58.85 -53.36 59.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.874 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -53.68 -50.55 65.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.85 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 42.4 mt -52.08 -44.49 39.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.114 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 52.1 ttt-85 -56.96 -36.22 70.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.895 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 46.1 m-80 -73.38 -19.57 60.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.889 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 94.8 9.83 58.23 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.51 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -52.69 107.28 0.21 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.905 0.384 . . . . 0.0 110.883 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.452 ' HB2' ' NE2' ' A' ' 44' ' ' GLN . 16.9 tp -45.5 -58.9 3.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.959 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 9.0 mmtp -42.76 -24.19 0.06 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 179.776 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . 0.404 ' N ' ' O ' ' A' ' 109' ' ' LEU . . . -87.44 -61.4 1.73 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.141 179.833 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 4.8 mp -48.45 -51.1 11.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.131 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 17.6 mt -52.48 -50.31 62.98 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -54.95 -31.96 55.79 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.501 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.581 ' CD2' ' N ' ' A' ' 116' ' ' PHE . 0.1 OUTLIER -71.8 -60.27 2.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.849 0.357 . . . . 0.0 110.933 -179.927 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . 0.581 ' N ' ' CD2' ' A' ' 115' ' ' LEU . 10.8 m-85 -64.7 -19.77 65.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.922 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -72.11 -34.62 68.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.878 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 23.2 m -93.04 -46.66 7.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.859 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 11.3 tp -46.4 -58.01 4.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.938 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' SER . . . . . 0.558 ' HA ' ' CZ2' ' A' ' 26' ' ' TRP . 28.2 t -45.59 -43.87 12.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.877 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 78.5 mtp180 -54.45 -50.73 67.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.822 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -46.35 -25.58 0.67 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.912 -179.803 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 15.0 tptp -97.47 -38.92 9.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.942 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.968 179.947 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.404 ' O ' ' C ' ' A' ' 16' ' ' LEU . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.404 ' C ' ' O ' ' A' ' 15' ' ' GLY . 69.3 mt -38.1 -61.22 0.68 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.753 0.311 . . . . 0.0 110.921 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -51.42 -37.48 48.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.916 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.403 ' N ' ' O ' ' A' ' 15' ' ' GLY . 1.6 m-20 -70.74 -34.94 72.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.852 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -61.43 -43.13 99.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.954 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 22.1 tttt -44.63 -23.16 0.11 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.924 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 4.3 tpt180 -86.4 -45.71 10.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.867 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 50.7 mt -56.23 -46.7 81.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.114 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.429 ' CD1' ' HB3' ' A' ' 116' ' ' PHE . 24.1 m-85 -65.57 -31.59 72.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.972 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.481 ' O ' ' ND2' ' A' ' 28' ' ' ASN . 54.9 m -62.53 -47.47 83.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.128 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 43.2 t0 -65.15 -36.51 84.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 64.6 t90 -56.57 -59.0 5.65 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.925 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.29 -47.71 84.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.135 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.481 ' ND2' ' O ' ' A' ' 24' ' ' THR . 1.1 m-80 -38.1 -35.71 0.17 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -62.42 -57.45 11.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.842 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.525 ' CE1' ' HA ' ' A' ' 60' ' ' VAL . 87.2 m-85 -54.21 -32.93 57.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.943 -179.828 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.486 HD21 ' CG ' ' A' ' 36' ' ' HIS . 12.6 mt -71.67 -53.99 11.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.945 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -57.25 -54.62 44.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.115 179.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.33 -34.89 35.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.912 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.4 t -75.36 -21.78 58.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.862 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.43 ' O ' ' C ' ' A' ' 36' ' ' HIS . . . 118.78 -30.06 6.06 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.449 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.486 ' CG ' HD21 ' A' ' 31' ' ' LEU . 5.5 m-70 -35.23 128.94 0.52 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.816 0.341 . . . . 0.0 110.887 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 4.2 mmmm -86.76 -28.76 22.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.883 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.417 ' HG2' ' N ' ' A' ' 39' ' ' LEU . 27.3 ttm180 -85.59 155.62 21.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.867 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.417 ' N ' ' HG2' ' A' ' 38' ' ' ARG . 34.7 mt -125.55 -175.39 3.31 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.937 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 73.2 mt -97.13 113.09 30.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.121 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 11.7 mmm-85 -88.49 -61.11 1.78 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.904 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.486 ' O ' ' N ' ' A' ' 46' ' ' ASP . 1.8 m-20 -113.78 100.07 8.17 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.527 HD12 ' CE2' ' A' ' 116' ' ' PHE . 11.8 tp -49.91 -38.26 35.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.907 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.419 ' CD ' HD12 ' A' ' 109' ' ' LEU . 57.4 mt-30 -72.81 -22.43 60.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.921 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -113.5 9.49 18.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.912 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.486 ' N ' ' O ' ' A' ' 42' ' ' ASP . 1.4 m-20 -102.51 -33.74 9.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.847 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 27.2 m -101.15 29.06 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.112 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 33.9 p -87.35 -35.6 18.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.175 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -90.15 -18.29 26.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.856 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 79.33 -14.4 16.41 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.494 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 63.5 t -68.11 -70.12 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.823 0.344 . . . . 0.0 111.162 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.6 tt -51.04 -30.69 16.26 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.948 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.8 tp -61.26 -50.36 73.34 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.423 ' O ' ' N ' ' A' ' 56' ' ' ILE . . . -61.78 -46.52 89.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.074 179.827 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.443 ' NE2' ' CE1' ' A' ' 36' ' ' HIS . 14.0 mt-30 -38.06 -31.09 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.942 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.423 ' N ' ' O ' ' A' ' 54' ' ' ALA . 12.9 mt -88.97 -56.04 5.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.124 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.442 ' HA ' ' CG1' ' A' ' 60' ' ' VAL . 60.5 mt -43.53 -63.43 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.133 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.503 ' O ' ' N ' ' A' ' 62' ' ' ASN . 32.1 mt-30 -39.43 -41.89 1.02 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 59.4 t -69.68 -67.4 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.09 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.525 ' HA ' ' CE1' ' A' ' 30' ' ' TYR . 3.5 p -49.68 -22.63 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.146 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -101.83 -22.56 14.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.063 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.503 ' N ' ' O ' ' A' ' 58' ' ' GLN . 4.4 m120 69.03 39.71 1.73 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.894 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -149.66 160.24 43.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.898 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 15.8 tttt -109.1 138.04 46.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.907 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 13.9 mt -93.97 115.01 31.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.139 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -84.53 0.42 49.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.918 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -107.87 37.8 2.35 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.921 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 36.7 mm -114.12 122.96 69.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.167 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.411 ' ND2' ' HA ' ' A' ' 72' ' ' PRO . 25.2 t-20 -54.23 -59.27 4.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 104.18 -54.68 0.64 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.465 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 52.0 t -124.12 77.2 59.78 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.614 0.721 . . . . 0.0 110.905 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.411 ' HA ' ' ND2' ' A' ' 69' ' ' ASN . 54.0 Cg_endo -69.72 98.62 0.69 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.647 2.231 . . . . 0.0 112.398 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 58.1 mmtt -91.49 -52.08 4.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.895 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.43 ' HB2' ' CG ' ' A' ' 77' ' ' GLN . 2.5 m120 -63.79 168.06 5.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.918 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 7.8 tmm_? -75.05 -36.0 61.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.923 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 59.0 p -84.65 -31.48 24.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.881 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . 0.43 ' CG ' ' HB2' ' A' ' 74' ' ' ASN . 13.2 mm-40 -47.96 -40.16 21.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.952 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 20.6 mtt -59.08 -43.07 91.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.892 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 32.0 mm -47.9 -53.16 5.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.163 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 64.0 mt-10 -47.62 -51.98 19.51 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -41.8 -72.61 0.06 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.855 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 20.8 mt -49.57 -40.53 15.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.104 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -56.72 -45.24 82.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -51.96 -50.93 60.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.068 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 41.4 m -56.95 -42.95 81.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.871 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 63.9 mt -59.68 -43.68 93.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 67.5 m-80 -70.81 -39.64 72.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.885 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 10.8 t80 -66.2 -42.81 88.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.868 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 27.2 mt -68.13 -40.74 82.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.947 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -54.45 -41.52 69.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.081 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -61.27 -21.6 64.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.107 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 35.0 mmtt -87.77 -13.31 42.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.859 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 108.49 29.35 4.22 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.46 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.454 ' CD1' ' HB2' ' A' ' 122' ' ' TYR . 71.3 mt . . . . . 0 C--N 1.328 -0.342 0 CA-C-O 120.829 0.347 . . . . 0.0 111.108 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 N-CA-C 112.499 -0.241 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 52.4 mt -64.46 146.59 54.29 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.829 0.347 . . . . 0.0 110.96 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 4.0 m -128.94 110.74 12.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.863 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -44.11 -50.78 8.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.088 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -52.42 -58.2 7.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.846 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 22.3 mm-40 -52.93 -46.95 68.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 32.3 mt -58.89 -41.64 83.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.143 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 14.7 ttt-85 -66.87 -24.69 66.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 34.1 m-20 -83.42 -21.91 32.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.869 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 104.84 8.2 37.32 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.473 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -54.23 99.35 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.88 0.372 . . . . 0.0 110.893 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.419 HD12 ' CD ' ' A' ' 44' ' ' GLN . 12.3 tp -38.47 -58.64 1.0 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.918 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 2.3 mptt -39.35 -44.17 1.28 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.849 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -66.84 -58.55 4.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.088 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.463 ' CG2' ' HG ' ' A' ' 43' ' ' LEU . 5.3 mp -52.47 -63.33 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.144 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 19.0 mt -47.08 -48.06 22.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -57.39 -34.62 68.78 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.484 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.589 ' CD2' ' N ' ' A' ' 116' ' ' PHE . 0.2 OUTLIER -69.24 -62.53 1.34 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.848 0.356 . . . . 0.0 110.909 -179.956 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . 0.589 ' N ' ' CD2' ' A' ' 115' ' ' LEU . 10.6 m-85 -59.52 -11.17 4.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.86 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . 0.492 ' CD1' ' C ' ' A' ' 117' ' ' PHE . 3.3 t80 -85.38 -34.32 21.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.878 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 1.5 p -92.94 -29.43 15.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.885 -179.8 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 11.9 tp -65.46 -54.11 33.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.907 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 29.9 p -50.1 -27.62 5.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 44.8 mtp180 -64.29 -50.4 68.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.865 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' TYR . . . . . 0.454 ' HB2' ' CD1' ' A' ' 94' ' ' ILE . 9.8 t80 -40.22 -55.63 2.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.931 -179.851 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . 0.433 ' O ' ' C ' ' A' ' 124' ' ' GLN . 14.5 tptp -70.4 -54.06 13.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.869 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' GLN . . . . . 0.433 ' C ' ' O ' ' A' ' 123' ' ' LYS . 33.0 mt-30 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.874 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.496 ' O ' ' N ' ' A' ' 18' ' ' ASP . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 88.8 mt -39.1 -33.35 0.12 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.764 0.316 . . . . 0.0 110.947 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -81.62 -37.56 27.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.925 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.496 ' N ' ' O ' ' A' ' 15' ' ' GLY . 6.7 m-20 -67.78 -44.91 76.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.866 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 15.5 mt-30 -56.85 -38.27 72.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 28.2 tttt -52.02 -27.48 13.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.846 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 8.0 tpp85 -89.04 -46.51 8.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.908 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 92.7 mt -49.33 -50.24 16.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.183 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.519 ' CG ' ' HB3' ' A' ' 116' ' ' PHE . 23.8 m-85 -63.57 -39.12 93.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.886 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.495 ' O ' ' ND2' ' A' ' 28' ' ' ASN . 90.1 m -54.28 -44.82 72.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.112 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -69.15 -40.35 78.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 59.1 t90 -53.42 -51.04 63.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.93 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.469 ' CB ' HD12 ' A' ' 56' ' ' ILE . . . -68.19 -41.74 80.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.108 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.495 ' ND2' ' O ' ' A' ' 24' ' ' THR . 1.4 m-80 -45.73 -31.93 2.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 24.1 t60 -69.89 -40.12 75.84 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.857 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 60.8 m-85 -73.79 -25.84 60.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.917 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 19.8 mt -84.56 -42.41 15.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.956 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -70.26 -34.49 72.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.105 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.6 ptmm? -68.62 -36.77 79.08 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.869 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.6 t -83.23 20.11 1.35 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.834 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 53.54 61.46 7.01 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.463 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.416 ' CE1' HE22 ' A' ' 55' ' ' GLN . 12.4 t-80 -107.79 125.18 51.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.914 0.387 . . . . 0.0 110.832 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.93 47.82 1.15 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 18.7 ttt180 -167.3 148.84 5.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.87 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 29.3 mt -127.72 -177.51 4.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.938 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 65.5 mt -106.14 114.92 46.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.099 179.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 67.3 mtt180 -95.77 -58.72 2.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.494 ' O ' ' N ' ' A' ' 46' ' ' ASP . 0.4 OUTLIER -113.42 101.38 9.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.891 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.552 HD13 ' CE2' ' A' ' 116' ' ' PHE . 12.7 tp -50.93 -38.65 51.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.911 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.456 ' NE2' HD11 ' A' ' 109' ' ' LEU . 30.0 mt-30 -68.8 -38.94 80.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.9 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 10.9 mt-30 -99.11 10.9 40.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.946 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.494 ' N ' ' O ' ' A' ' 42' ' ' ASP . 2.8 m-20 -101.33 -28.31 12.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 23.4 m -110.67 34.55 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.146 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 22.9 p -89.39 -34.83 16.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.104 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -96.49 -16.76 20.96 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.835 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 79.83 -14.52 18.94 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.48 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 97.1 t -61.03 -70.54 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.877 0.37 . . . . 0.0 111.139 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.6 tt -54.17 -34.57 60.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.97 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.3 tp -58.68 -48.45 81.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.938 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.38 -39.57 94.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.075 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.416 HE22 ' CE1' ' A' ' 36' ' ' HIS . 24.2 mt-30 -46.6 -23.95 0.47 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.924 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.469 HD12 ' CB ' ' A' ' 27' ' ' ALA . 10.6 mt -95.12 -53.39 8.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.104 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 67.2 mt -48.58 -51.77 10.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.151 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -56.54 -22.45 33.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 85.6 t -88.08 -59.74 2.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.103 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 6.3 p -59.31 -27.08 35.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.135 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -99.24 -14.17 19.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.142 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 8.5 m120 58.63 48.15 12.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.936 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -147.06 160.56 42.25 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 19.7 ttpt -110.38 130.09 55.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.917 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.438 HG12 ' CD2' ' A' ' 88' ' ' PHE . 31.8 mt -94.64 103.16 14.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.138 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -72.94 -13.27 61.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.452 ' O ' ' CB ' ' A' ' 84' ' ' ALA . 28.9 m-20 -92.11 36.16 0.98 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.844 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.436 HG12 ' CG2' ' A' ' 65' ' ' ILE . 35.4 mm -114.06 132.5 62.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.085 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.46 ' ND2' ' HA ' ' A' ' 72' ' ' PRO . 51.9 t30 -64.14 -52.47 58.92 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.918 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 93.63 -49.43 2.32 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.478 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 36.2 m -134.08 82.91 47.03 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.602 0.715 . . . . 0.0 110.874 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.46 ' HA ' ' ND2' ' A' ' 69' ' ' ASN . 54.0 Cg_endo -69.74 138.63 38.34 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.703 2.269 . . . . 0.0 112.38 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 68.9 mttt -115.57 -47.14 2.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.925 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.416 ' O ' ' C ' ' A' ' 75' ' ' ARG . 28.7 t-20 -101.07 139.98 36.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.873 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.416 ' C ' ' O ' ' A' ' 74' ' ' ASN . 5.4 mmt-85 -35.73 -46.65 0.45 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.847 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.448 ' O ' ' N ' ' A' ' 79' ' ' ILE . 9.7 p -60.61 -48.31 82.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.859 -179.779 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . 0.412 ' N ' ' O ' ' A' ' 74' ' ' ASN . 15.2 mm100 -43.51 -22.84 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.932 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' MET . . . . . 0.413 ' N ' ' O ' ' A' ' 76' ' ' SER . 8.7 mtt -79.83 -38.14 33.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.857 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.455 ' CD1' ' HD3' ' A' ' 105' ' ' ARG . 3.5 mm -49.67 -50.28 18.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.107 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -54.35 -53.4 54.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.864 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -40.56 -68.71 0.16 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 24.6 mt -53.64 -40.07 40.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.163 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -54.65 -51.99 63.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.828 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.452 ' CB ' ' O ' ' A' ' 67' ' ' ASP . . . -54.19 -44.68 71.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.095 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 71.9 m -59.18 -39.4 82.4 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.878 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 87.9 mt -64.62 -55.47 20.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 70.0 m-80 -59.77 -31.12 69.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.597 ' CD1' ' C ' ' A' ' 88' ' ' PHE . 0.5 OUTLIER -71.84 -40.68 68.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.896 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.405 HD22 ' CD1' ' A' ' 94' ' ' ILE . 57.8 mt -68.41 -40.07 81.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.92 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -54.7 -37.68 66.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.069 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -65.29 -20.05 66.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.071 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . 0.494 ' HB3' ' CE1' ' A' ' 122' ' ' TYR . 41.5 mmtt -90.18 -17.41 27.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.881 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 111.54 37.21 1.63 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.489 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.444 ' CG2' ' OG ' ' A' ' 118' ' ' SER . 71.0 mt . . . . . 0 C--N 1.329 -0.286 0 CA-C-O 120.838 0.351 . . . . 0.0 111.109 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.527 -0.229 . . . . 0.0 112.527 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 51.6 mt -68.4 137.44 54.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.791 0.329 . . . . 0.0 110.931 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' SER . . . . . 0.447 ' CB ' ' HG3' ' A' ' 103' ' ' GLU . 1.1 m -121.64 123.0 40.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.874 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -51.95 -46.53 64.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.099 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -56.71 -42.37 79.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.901 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.447 ' HG3' ' CB ' ' A' ' 100' ' ' SER . 18.0 mt-10 -71.01 -43.53 67.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.881 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 73.1 mt -63.74 -37.84 80.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.121 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . 0.455 ' HD3' ' CD1' ' A' ' 79' ' ' ILE . 14.5 ttt-85 -67.49 -38.12 83.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.931 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 22.5 m-80 -66.57 -27.98 68.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.904 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 100.1 30.02 6.54 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.487 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . 0.479 ' O ' ' N ' ' A' ' 111' ' ' ALA . 27.8 t30 -74.17 102.91 4.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.868 0.366 . . . . 0.0 110.917 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.456 HD11 ' NE2' ' A' ' 44' ' ' GLN . 8.5 tp -35.9 -52.44 0.73 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.931 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 13.3 mmtp -51.21 -41.95 60.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.885 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . 0.479 ' N ' ' O ' ' A' ' 108' ' ' ASN . . . -68.92 -56.02 9.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.116 179.813 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.419 ' CG2' ' HG ' ' A' ' 43' ' ' LEU . 5.3 mp -53.61 -65.9 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.137 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 58.4 mt -39.16 -41.47 0.84 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.917 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -59.71 -40.16 96.19 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.463 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.579 ' CD2' ' N ' ' A' ' 116' ' ' PHE . 0.2 OUTLIER -64.57 -60.98 2.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.861 0.363 . . . . 0.0 110.904 -179.883 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . 0.579 ' N ' ' CD2' ' A' ' 115' ' ' LEU . 12.0 m-85 -63.41 -12.49 31.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.867 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . 0.486 ' CD1' ' C ' ' A' ' 117' ' ' PHE . 3.5 t80 -79.68 -36.93 36.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.842 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' SER . . . . . 0.444 ' OG ' ' CG2' ' A' ' 94' ' ' ILE . 7.9 p -93.0 -37.67 12.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.824 -179.771 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 9.4 tp -54.94 -47.95 73.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.927 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 89.2 p -56.62 -37.35 70.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.833 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 47.1 mtp85 -59.09 -46.61 87.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.862 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' TYR . . . . . 0.494 ' CE1' ' HB3' ' A' ' 92' ' ' LYS . 9.6 t80 -42.74 -56.04 3.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 -179.871 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . 0.436 ' O ' ' C ' ' A' ' 124' ' ' GLN . 11.3 tptp -74.17 -53.58 9.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.889 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' GLN . . . . . 0.436 ' C ' ' O ' ' A' ' 123' ' ' LYS . 73.3 mt-30 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.927 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.458 ' N ' ' HB2' ' A' ' 18' ' ' ASP . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.455 HD21 ' CD1' ' A' ' 113' ' ' LEU . 15.3 mt -35.34 -56.66 0.62 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.761 0.315 . . . . 0.0 110.949 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.6 mp0 -62.16 -41.24 98.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.849 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.458 ' HB2' ' N ' ' A' ' 15' ' ' GLY . 1.1 m-20 -61.73 -31.33 71.49 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.833 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -64.29 -42.24 96.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.848 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.421 ' NZ ' ' OE1' ' A' ' 44' ' ' GLN . 47.3 tttt -46.35 -42.19 14.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.913 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 18.2 ttm-85 -64.73 -54.35 32.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.892 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 39.1 mt -40.97 -52.4 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.135 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 30.0 m-85 -68.59 -49.0 62.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.92 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 51.9 m -41.45 -49.16 3.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.181 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -73.32 -37.46 66.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.887 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 86.4 t90 -56.97 -42.07 79.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.94 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -71.06 -40.54 71.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.119 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.422 ' O ' ' N ' ' A' ' 31' ' ' LEU . 2.0 m-80 -49.85 -47.1 51.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.914 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -46.2 -38.0 7.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.822 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.49 ' CZ ' HG23 ' A' ' 60' ' ' VAL . 96.0 m-85 -79.54 -22.7 43.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.895 -179.847 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.505 HD21 ' CD2' ' A' ' 36' ' ' HIS . 14.2 mt -79.4 -57.24 3.8 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.887 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -57.84 -48.7 79.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.087 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.457 ' CD ' ' HA ' ' A' ' 30' ' ' TYR . 16.4 ptmt -50.35 -37.14 35.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 19.5 m -91.76 33.06 1.05 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.852 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 46.58 59.98 5.05 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.475 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.505 ' CD2' HD21 ' A' ' 31' ' ' LEU . 81.5 t60 -121.19 87.19 2.71 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.882 0.373 . . . . 0.0 110.875 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 36' ' ' HIS . 1.2 mmmm -38.25 -74.78 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.927 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 21.5 ttm180 -38.35 150.21 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.889 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 52.7 mt -131.54 -178.93 5.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.927 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 80.3 mt -99.12 117.16 43.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.155 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 55.9 mtm180 -88.43 -63.03 1.36 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.86 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.47 ' O ' ' N ' ' A' ' 45' ' ' GLN . 72.4 m-20 -114.93 98.28 6.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.855 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.595 ' CD1' ' CE2' ' A' ' 116' ' ' PHE . 16.9 tp -40.99 -25.03 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.459 ' CG ' HD13 ' A' ' 109' ' ' LEU . 26.1 mt-30 -77.14 -40.64 44.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.921 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.47 ' N ' ' O ' ' A' ' 42' ' ' ASP . 54.4 mm-40 -83.57 -47.58 11.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.922 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -48.66 -19.02 0.31 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.836 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 18.5 m -115.35 39.67 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.097 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.445 ' CG2' ' HA ' ' A' ' 45' ' ' GLN . 14.3 p -97.5 -30.24 13.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.122 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.463 ' O ' ' CB ' ' A' ' 81' ' ' ASN . 0.9 OUTLIER -104.07 -16.22 15.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.883 179.898 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 82.88 -17.17 23.18 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.536 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 93.3 t -64.74 -59.21 4.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.805 0.336 . . . . 0.0 111.131 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.2 tt -62.61 -34.03 76.2 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.957 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.4 tp -58.81 -47.25 85.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.959 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.487 ' O ' ' N ' ' A' ' 56' ' ' ILE . . . -64.59 -43.05 95.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.131 179.761 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.488 HE22 ' CE1' ' A' ' 36' ' ' HIS . 20.0 mt-30 -36.69 -29.57 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.915 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.487 ' N ' ' O ' ' A' ' 54' ' ' ALA . 4.8 mp -92.3 -50.89 12.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.144 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 72.7 mt -50.47 -55.31 6.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.139 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 -52.33 -31.81 35.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.984 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 76.7 t -76.42 -68.45 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.126 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.49 HG23 ' CZ ' ' A' ' 30' ' ' TYR . 11.9 p -51.68 -31.63 13.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.082 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.465 ' N ' HG12 ' A' ' 60' ' ' VAL . . . -89.77 -15.14 33.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.134 179.835 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 72.9 m-20 59.46 33.6 22.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.837 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -137.58 162.67 33.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.89 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 18.5 ttpp -111.27 137.06 49.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.89 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.458 ' HB ' ' CG1' ' A' ' 68' ' ' ILE . 18.2 mt -97.25 117.39 41.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.15 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -81.83 -18.19 44.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.465 ' CB ' ' HB1' ' A' ' 84' ' ' ALA . 11.8 m-20 -86.82 36.74 0.73 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.855 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.458 ' CG1' ' HB ' ' A' ' 65' ' ' ILE . 36.3 mm -113.35 103.35 15.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.119 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 64.3 t30 -40.47 -47.34 2.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.855 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 99.54 -57.82 0.84 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.524 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 6.9 t -130.64 82.4 64.92 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.595 0.712 . . . . 0.0 110.907 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 119.25 6.23 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.674 2.249 . . . . 0.0 112.356 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 37.9 mttp -105.35 -50.76 3.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.883 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.459 ' HB2' ' CG ' ' A' ' 77' ' ' GLN . 10.4 m-20 -71.74 165.6 23.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.871 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -65.63 -48.22 72.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.907 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 3.9 m -71.61 -34.13 69.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.896 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . 0.459 ' CG ' ' HB2' ' A' ' 74' ' ' ASN . 6.6 mm100 -42.91 -49.53 5.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.952 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 13.0 mtt -53.06 -47.73 68.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.861 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 49.4 mm -38.35 -62.06 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.153 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . 0.422 ' O ' ' C ' ' A' ' 81' ' ' ASN . 11.4 mt-10 -38.48 -57.79 1.1 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.463 ' CB ' ' O ' ' A' ' 49' ' ' ASP . 2.4 m120 -36.56 -70.18 0.1 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.864 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 27.8 mt -52.4 -40.7 33.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.144 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -53.58 -48.11 69.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.849 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.465 ' HB1' ' CB ' ' A' ' 67' ' ' ASP . . . -52.3 -51.12 60.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.082 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 38.6 m -54.49 -45.75 73.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.927 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 60.1 mt -57.43 -53.66 55.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 70.1 m-80 -63.26 -36.25 83.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.893 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.449 ' CZ ' ' HE3' ' A' ' 92' ' ' LYS . 16.7 t80 -62.38 -45.55 92.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.412 ' CD2' HD11 ' A' ' 94' ' ' ILE . 75.6 mt -61.63 -51.61 67.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.931 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -46.81 -51.95 15.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.097 179.779 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -54.83 -31.68 59.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.128 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . 0.449 ' HE3' ' CZ ' ' A' ' 88' ' ' PHE . 70.0 mmtt -76.09 -17.48 59.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.904 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 109.7 38.21 1.77 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.486 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.439 ' CD1' ' HB2' ' A' ' 122' ' ' TYR . 70.3 mt . . . . . 0 C--N 1.329 -0.319 0 CA-C-O 120.784 0.326 . . . . 0.0 111.144 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.514 -0.235 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 71.5 mt -65.42 176.31 1.46 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.816 0.341 . . . . 0.0 110.914 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 18.1 m -152.41 107.87 3.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.856 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -47.6 -43.79 25.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.089 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -57.98 -54.42 47.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.927 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 38.1 mm-40 -51.91 -46.32 64.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.888 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 23.6 mt -57.84 -43.77 84.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.135 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 16.0 ttt-85 -63.59 -23.36 67.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.846 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 -85.19 -18.68 33.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 91.78 33.24 7.99 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.535 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . 0.404 ' O ' ' N ' ' A' ' 111' ' ' ALA . 25.4 t-20 -77.45 97.91 5.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.83 0.348 . . . . 0.0 110.874 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.459 HD13 ' CG ' ' A' ' 44' ' ' GLN . 9.8 tp -37.09 -63.26 0.44 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.926 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 2.8 mmmp? -40.15 -38.83 0.81 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 179.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . 0.404 ' N ' ' O ' ' A' ' 108' ' ' ASN . . . -71.26 -63.75 1.05 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.115 179.845 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.43 ' O ' ' C ' ' A' ' 113' ' ' LEU . 5.2 mp -47.83 -63.21 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.14 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.455 ' CD1' HD21 ' A' ' 16' ' ' LEU . 67.2 mt -35.3 -49.54 0.51 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.938 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -54.29 -52.47 44.04 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.487 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.52 ' CD2' ' CD2' ' A' ' 116' ' ' PHE . 0.1 OUTLIER -52.23 -55.49 20.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.849 0.357 . . . . 0.0 110.917 -179.936 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . 0.595 ' CE2' ' CD1' ' A' ' 43' ' ' LEU . 10.6 m-85 -66.73 -19.21 65.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 12.4 t80 -73.84 -34.22 64.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.868 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 33.5 p -92.77 -40.54 10.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.867 -179.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 15.9 tp -57.44 -48.27 79.59 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.897 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 6.4 t -52.79 -37.0 59.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.841 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 51.6 mtp180 -61.94 -50.39 72.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.841 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' TYR . . . . . 0.588 ' CD1' ' C ' ' A' ' 122' ' ' TYR . 0.1 OUTLIER -43.98 -33.59 1.45 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 -179.853 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . 0.428 ' HD3' ' CG2' ' A' ' 60' ' ' VAL . 15.9 tptp -73.93 -48.29 31.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.927 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.926 179.966 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.456 ' O ' ' N ' ' A' ' 18' ' ' ASP . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.43 ' C ' ' O ' ' A' ' 15' ' ' GLY . 71.4 mt -35.71 -50.74 0.64 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.784 0.326 . . . . 0.0 110.893 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -62.84 -42.85 99.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.456 ' N ' ' O ' ' A' ' 15' ' ' GLY . 6.8 m-20 -60.81 -38.64 86.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.87 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 44.3 mt-30 -57.49 -45.52 84.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.917 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 63.7 tttt -42.44 -48.41 5.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.906 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.09 -54.17 45.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.893 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 86.7 mt -41.58 -52.69 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.119 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 27.3 m-85 -68.57 -49.51 58.88 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.869 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 55.4 m -42.98 -45.36 5.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.168 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -73.78 -38.09 64.76 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.829 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 89.1 t90 -56.82 -44.73 82.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.918 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -74.56 -45.5 44.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.086 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 34.7 m-20 -46.24 -40.79 12.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.859 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -53.05 -41.34 64.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.854 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.503 ' CZ ' HG22 ' A' ' 60' ' ' VAL . 95.7 m-85 -74.24 -21.58 59.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.893 -179.817 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.41 ' O ' ' CB ' ' A' ' 36' ' ' HIS . 18.7 mt -83.84 -36.84 23.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.948 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -77.82 -25.37 48.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.082 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 13.7 ptmt -75.09 -34.56 61.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.912 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.7 t -91.87 27.24 2.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 51.59 66.4 2.57 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.522 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.41 ' CB ' ' O ' ' A' ' 31' ' ' LEU . 6.7 t-80 -120.66 95.32 4.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.905 0.383 . . . . 0.0 110.848 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 31.4 mtpt -43.19 -61.29 1.37 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.443 ' HG2' ' N ' ' A' ' 39' ' ' LEU . 6.0 ttt180 -58.16 144.05 41.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.879 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.443 ' N ' ' HG2' ' A' ' 38' ' ' ARG . 37.3 mt -123.56 -175.74 3.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.907 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 91.7 mt -100.93 120.58 50.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.098 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 4.9 mpt_? -94.46 -64.77 1.04 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.855 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.455 ' O ' ' N ' ' A' ' 45' ' ' GLN . 0.9 OUTLIER -112.53 98.33 7.18 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.848 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 13.0 tp -42.23 -23.48 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.92 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.461 ' CG ' HD12 ' A' ' 109' ' ' LEU . 62.7 mt-30 -77.45 -40.12 44.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.902 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.455 ' N ' ' O ' ' A' ' 42' ' ' ASP . 27.5 mt-30 -86.17 -48.24 8.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.936 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -42.32 -23.64 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.437 ' N ' ' O ' ' A' ' 45' ' ' GLN . 26.2 m -114.76 42.74 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.146 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.448 ' CG2' ' HA ' ' A' ' 45' ' ' GLN . 3.1 p -91.46 -35.72 14.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.165 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -106.22 -12.23 15.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.873 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 86.9 -25.4 7.6 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.47 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 66.1 t -50.58 -70.35 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.882 0.372 . . . . 0.0 111.143 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.421 ' O ' ' CD1' ' A' ' 56' ' ' ILE . 1.8 tt -53.06 -35.88 60.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.96 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.7 tp -59.75 -47.01 87.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.932 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -67.62 -34.6 77.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.113 179.784 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -46.7 -27.44 1.18 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.951 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.421 ' CD1' ' O ' ' A' ' 52' ' ' LEU . 5.3 mp -94.57 -58.66 3.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.185 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.402 ' C ' ' O ' ' A' ' 56' ' ' ILE . 59.3 mt -37.84 -50.92 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.123 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.414 ' O ' ' N ' ' A' ' 62' ' ' ASN . 37.5 mt-30 -54.64 -43.6 72.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.929 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.402 ' N ' ' O ' ' A' ' 56' ' ' ILE . 65.8 t -68.18 -64.13 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.111 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.503 HG22 ' CZ ' ' A' ' 30' ' ' TYR . 8.1 p -52.89 -32.64 18.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.147 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -89.55 -19.42 25.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.109 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.414 ' N ' ' O ' ' A' ' 58' ' ' GLN . 6.9 m120 66.64 37.36 4.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.905 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -143.88 166.94 23.53 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 4.4 ttpp -117.17 131.43 56.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.89 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.418 ' HB ' ' CG1' ' A' ' 68' ' ' ILE . 22.4 mt -91.98 117.47 35.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.132 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -82.31 -15.18 53.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.921 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -89.14 35.43 0.8 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.87 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.418 ' CG1' ' HB ' ' A' ' 65' ' ' ILE . 34.9 mm -113.74 111.09 34.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.149 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 57.4 t30 -48.54 -57.1 6.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.856 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 115.89 -59.92 0.43 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.482 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 92.0 m -134.17 72.14 71.89 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.631 0.729 . . . . 0.0 110.9 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 132.78 24.07 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.71 2.274 . . . . 0.0 112.334 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.453 ' HG2' ' N ' ' A' ' 74' ' ' ASN . 0.0 OUTLIER -123.67 -34.13 3.09 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.932 179.889 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.453 ' N ' ' HG2' ' A' ' 73' ' ' LYS . 2.5 t30 -68.9 170.78 9.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.931 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 4.2 tpt180 -61.81 -50.75 71.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.458 ' O ' ' N ' ' A' ' 79' ' ' ILE . 5.1 p -81.74 -31.08 32.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.872 -179.807 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 22.7 mm-40 -40.88 -38.43 0.95 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.954 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' MET . . . . . 0.437 ' SD ' ' NH1' ' A' ' 105' ' ' ARG . 20.1 mtt -77.61 -34.84 53.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.884 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.458 ' N ' ' O ' ' A' ' 76' ' ' SER . 21.6 mm -56.55 -54.39 29.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.145 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -42.79 -56.95 2.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.895 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 7.0 m-20 -39.51 -71.26 0.08 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 28.9 mt -47.92 -37.63 6.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.121 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -59.05 -49.53 77.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -51.79 -45.72 63.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.101 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 63.6 m -59.36 -43.17 92.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.416 ' CD2' HD13 ' A' ' 99' ' ' LEU . 81.8 mt -63.29 -45.02 93.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.918 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 70.4 m-80 -69.81 -35.79 75.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.853 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 6.1 t80 -67.67 -40.49 84.45 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.857 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 89.8 mt -69.26 -42.85 75.03 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.909 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -52.62 -46.51 67.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.119 179.766 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -56.17 -18.84 11.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.131 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 36.2 mmtt -88.63 -17.48 30.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 112.64 29.08 3.24 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.477 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 71.6 mt . . . . . 0 C--N 1.329 -0.317 0 CA-C-O 120.856 0.36 . . . . 0.0 111.101 -179.936 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 N-CA-C 112.481 -0.247 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.416 HD13 ' CD2' ' A' ' 86' ' ' LEU . 43.9 mt -58.34 170.09 0.77 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.799 0.333 . . . . 0.0 110.934 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 12.8 m -149.28 112.32 4.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.844 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -47.74 -52.13 19.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.055 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -50.0 -57.43 7.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.863 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -49.96 -55.91 12.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.857 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 27.8 mt -48.18 -44.86 12.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.137 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . 0.437 ' NH1' ' SD ' ' A' ' 78' ' ' MET . 3.6 ttt85 -59.48 -33.32 71.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.87 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 37.6 m-20 -75.25 -16.85 60.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.952 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 87.24 26.96 29.33 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.517 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 42.2 t30 -71.39 100.39 2.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.893 0.377 . . . . 0.0 110.877 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.461 HD12 ' CG ' ' A' ' 44' ' ' GLN . 8.6 tp -37.38 -61.54 0.58 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.931 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . 0.418 ' C ' ' O ' ' A' ' 109' ' ' LEU . 11.3 mmtp -36.81 -40.25 0.26 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.915 179.807 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -73.64 -68.33 0.52 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.1 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 5.2 mp -41.8 -54.26 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.151 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 92.8 mt -45.73 -51.38 12.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.935 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -54.51 -47.11 71.27 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.519 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.583 ' CD2' ' N ' ' A' ' 116' ' ' PHE . 0.1 OUTLIER -55.78 -60.6 3.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.839 0.352 . . . . 0.0 110.935 -179.948 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . 0.583 ' N ' ' CD2' ' A' ' 115' ' ' LEU . 11.4 m-85 -63.12 -25.12 68.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . 0.48 ' CD1' ' C ' ' A' ' 117' ' ' PHE . 3.1 t80 -71.1 -29.4 65.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.904 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 6.8 p -95.0 -40.46 9.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.829 -179.775 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 15.9 tp -59.51 -49.46 77.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.942 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 58.9 p -51.72 -30.5 22.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 25.5 mtt-85 -71.55 -41.9 68.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.847 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -47.48 -48.39 27.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.938 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 12.3 tptp -76.36 -59.09 2.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.943 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.906 179.963 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 16' ' ' LEU . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.407 ' C ' ' O ' ' A' ' 15' ' ' GLY . 65.9 mt -37.54 -55.94 1.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.745 0.307 . . . . 0.0 110.895 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -55.79 -44.01 77.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -65.68 -29.5 70.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.831 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -67.7 -47.02 70.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.92 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 24.1 tttt -40.6 -48.16 2.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.944 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 5.2 tpt180 -62.92 -56.16 19.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 96.8 mt -38.72 -49.79 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.086 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 -70.76 -37.95 73.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.898 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.5 ' O ' ' ND2' ' A' ' 28' ' ' ASN . 49.3 m -54.03 -50.29 67.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.108 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -68.19 -40.49 82.22 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.883 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 78.6 t90 -52.48 -48.68 65.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.93 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -68.3 -44.13 76.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.126 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.5 ' ND2' ' O ' ' A' ' 24' ' ' THR . 1.7 m-80 -43.89 -41.72 5.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.907 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -53.55 -47.58 69.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 85.8 m-85 -67.77 -14.59 63.08 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.902 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.503 HD23 ' CG ' ' A' ' 36' ' ' HIS . 17.5 mt -89.66 -57.45 2.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.878 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.47 -21.86 60.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.095 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 10.9 ptmt -79.03 -39.56 33.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.932 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.2 m -81.18 1.78 30.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 80.7 65.37 1.72 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.508 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.503 ' CG ' HD23 ' A' ' 31' ' ' LEU . 4.5 m-70 -117.13 148.94 41.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.838 0.351 . . . . 0.0 110.887 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.8 pttp -105.71 -17.85 14.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.949 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 14.0 ttm105 -101.54 129.1 47.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.855 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.44 ' CD2' ' OD1' ' A' ' 28' ' ' ASN . 80.6 mt -109.51 171.28 7.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.935 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 95.8 mt -91.5 110.74 22.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.141 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 14.5 mtp180 -87.86 -57.45 2.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.861 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -114.74 100.09 7.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.844 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.54 HD13 ' CE2' ' A' ' 116' ' ' PHE . 12.0 tp -50.0 -21.31 1.18 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.897 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.455 ' CG ' HD12 ' A' ' 109' ' ' LEU . 35.2 mt-30 -84.5 -28.95 26.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 71.2 mt-30 -109.83 8.79 24.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.937 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.402 ' OD1' ' O ' ' A' ' 43' ' ' LEU . 0.3 OUTLIER -95.21 -35.0 12.01 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.873 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 34.5 m -101.76 29.31 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.115 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 7.6 p -83.62 -32.91 25.45 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.118 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -97.31 -16.36 20.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.851 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 78.04 -10.46 26.78 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.527 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 42.6 t -68.95 -70.6 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.927 0.394 . . . . 0.0 111.169 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.7 tt -51.71 -31.15 25.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.958 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.1 tp -62.34 -50.37 71.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.876 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.03 -46.02 92.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.145 179.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.45 ' O ' ' CG2' ' A' ' 59' ' ' VAL . 15.5 mt-30 -39.4 -39.64 0.7 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.885 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 3.6 mp -78.43 -51.04 18.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.139 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 41.9 mt -50.61 -53.11 14.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.1 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -55.08 -17.1 3.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.45 ' CG2' ' O ' ' A' ' 55' ' ' GLN . 30.2 t -93.26 -59.18 3.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.123 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 7.2 p -59.92 -24.75 30.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.155 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -100.18 -16.85 17.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.039 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 71.2 m-80 62.38 48.45 4.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.841 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -151.1 160.32 43.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 22.1 tttt -110.69 138.06 47.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.867 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.437 ' HB ' ' CG1' ' A' ' 68' ' ' ILE . 20.7 mt -100.65 115.12 41.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.138 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -78.51 -23.57 46.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.935 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.41 ' HB3' ' CB ' ' A' ' 84' ' ' ALA . 2.3 t70 -82.47 41.12 0.69 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.836 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.437 ' CG1' ' HB ' ' A' ' 65' ' ' ILE . 33.8 mm -118.03 110.32 30.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.129 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -49.66 -68.29 0.19 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.905 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 132.11 -71.12 0.51 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.484 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 74.8 m -128.19 81.46 70.43 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.548 0.69 . . . . 0.0 110.876 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 141.96 46.59 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.708 2.272 . . . . 0.0 112.318 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.462 ' HD2' ' N ' ' A' ' 73' ' ' LYS . 0.0 OUTLIER -124.43 -37.24 2.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.927 179.873 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.463 ' HB2' ' CG ' ' A' ' 77' ' ' GLN . 9.0 m-20 -77.73 -179.85 6.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 1.5 tmt_? -70.71 -55.6 8.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.493 ' O ' ' N ' ' A' ' 79' ' ' ILE . 10.5 t -71.0 -34.73 71.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.846 -179.767 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . 0.463 ' CG ' ' HB2' ' A' ' 74' ' ' ASN . 6.1 mm-40 -40.31 -37.16 0.62 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.894 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 17.6 mtt -80.32 -32.96 37.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.907 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.493 ' N ' ' O ' ' A' ' 76' ' ' SER . 26.4 mm -52.19 -46.62 44.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.165 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . 0.434 ' O ' ' C ' ' A' ' 81' ' ' ASN . 12.2 mt-10 -51.25 -63.7 1.05 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.882 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.434 ' C ' ' O ' ' A' ' 80' ' ' GLU . 57.2 m-80 -35.62 -72.53 0.05 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.838 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 61.2 mt -48.86 -36.6 8.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.181 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -60.85 -49.31 77.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.916 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.41 ' CB ' ' HB3' ' A' ' 67' ' ' ASP . . . -54.0 -42.91 69.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.085 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 62.4 m -61.98 -38.2 87.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 83.3 mt -66.72 -50.12 63.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.902 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 68.6 m-80 -66.37 -33.43 75.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.906 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.452 ' CD1' ' C ' ' A' ' 88' ' ' PHE . 1.4 t80 -70.84 -40.11 72.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.873 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 27.3 mt -72.03 -42.02 66.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.935 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -52.85 -38.08 61.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.058 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -66.26 -21.34 66.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.096 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 39.6 mmtt -86.54 -18.54 31.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.882 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 114.51 32.73 1.88 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.471 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.46 ' CD1' ' HB2' ' A' ' 122' ' ' TYR . 78.4 mt . . . . . 0 C--N 1.329 -0.301 0 CA-C-O 120.854 0.359 . . . . 0.0 111.094 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.464 -0.255 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 66.1 mt -60.04 164.08 4.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.798 0.332 . . . . 0.0 110.933 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 9.8 m -148.25 108.89 4.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.834 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -44.48 -49.6 9.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.129 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -52.74 -51.42 60.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.913 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -57.23 -46.47 82.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.85 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 35.8 mt -58.41 -42.7 84.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.167 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 18.5 ttt-85 -64.56 -30.5 71.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.852 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 16.5 m-20 -75.16 -26.21 58.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.891 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 100.23 18.33 22.09 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.482 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . 0.428 ' ND2' ' HB2' ' A' ' 110' ' ' LYS . 0.3 OUTLIER -67.39 104.56 1.56 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.867 0.365 . . . . 0.0 110.846 -179.844 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.455 HD12 ' CG ' ' A' ' 44' ' ' GLN . 11.6 tp -40.41 -57.63 1.74 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . 0.428 ' HB2' ' ND2' ' A' ' 108' ' ' ASN . 57.6 mmtt -39.9 -41.03 1.1 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.931 179.801 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -73.96 -63.62 1.18 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.103 179.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.472 ' CG2' ' HG ' ' A' ' 43' ' ' LEU . 5.3 mp -47.04 -59.86 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.157 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 13.3 mt -48.16 -46.6 34.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.91 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -56.53 -39.41 84.67 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.462 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.568 ' CD2' ' N ' ' A' ' 116' ' ' PHE . 0.1 OUTLIER -60.28 -60.15 4.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.851 0.358 . . . . 0.0 110.881 -179.877 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . 0.568 ' N ' ' CD2' ' A' ' 115' ' ' LEU . 10.7 m-85 -63.63 -18.34 63.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.878 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . 0.5 ' CD1' ' C ' ' A' ' 117' ' ' PHE . 3.1 t80 -71.13 -40.3 71.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 1.6 t -88.38 -44.59 10.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.906 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 14.1 tp -51.84 -44.55 63.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.915 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 86.7 p -59.97 -21.64 61.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 57.3 mtp85 -77.47 -45.55 25.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.836 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' TYR . . . . . 0.46 ' HB2' ' CD1' ' A' ' 94' ' ' ILE . 0.5 OUTLIER -47.05 -25.51 0.85 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.931 -179.856 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 13.4 tptp -94.83 -58.57 2.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.866 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.922 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.41 ' N ' ' HB2' ' A' ' 18' ' ' ASP . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 87.5 mt -51.8 -48.88 63.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.758 0.313 . . . . 0.0 110.922 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -65.4 -30.8 71.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.845 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.41 ' HB2' ' N ' ' A' ' 15' ' ' GLY . 0.9 OUTLIER -71.48 -42.11 68.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.874 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -54.78 -39.57 68.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.926 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.464 ' N ' HD21 ' A' ' 113' ' ' LEU . 58.9 tttt -48.31 -35.33 12.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.875 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 19.5 ttp180 -78.19 -43.52 28.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.869 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 97.7 mt -52.3 -50.16 38.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.127 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 26.0 m-85 -68.18 -46.56 70.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.931 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 28.3 m -41.95 -50.65 4.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.118 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -67.13 -41.05 86.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.886 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 82.8 t90 -54.85 -46.12 74.61 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.905 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -72.66 -45.43 58.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.125 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 35.1 m-20 -47.65 -40.15 19.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.903 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -56.49 -39.89 74.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.855 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.475 ' CZ ' HG23 ' A' ' 60' ' ' VAL . 96.7 m-85 -73.27 -22.95 60.27 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.919 -179.846 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.487 HD21 ' CG ' ' A' ' 36' ' ' HIS . 14.4 mt -80.32 -53.59 6.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.937 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -57.43 -41.65 80.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.114 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 10.7 ptmt -58.99 -41.55 87.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.892 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 12.3 m -87.92 36.2 0.76 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.861 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 45.42 67.25 1.28 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.43 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.487 ' CG ' HD21 ' A' ' 31' ' ' LEU . 86.3 t60 -125.62 81.9 2.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.822 0.344 . . . . 0.0 110.899 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.44 ' C ' ' O ' ' A' ' 36' ' ' HIS . 29.4 mttm -34.29 -74.92 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.447 ' HG2' ' N ' ' A' ' 39' ' ' LEU . 31.5 ttm180 -42.6 152.33 0.1 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.862 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.447 ' N ' ' HG2' ' A' ' 38' ' ' ARG . 54.2 mt -130.83 -175.76 3.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.906 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 92.9 mt -102.26 119.72 50.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.114 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.439 ' N ' ' HD3' ' A' ' 41' ' ' ARG . 1.7 mpp_? -93.06 -60.75 1.72 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.852 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.438 ' O ' ' N ' ' A' ' 45' ' ' GLN . 2.7 m-20 -115.07 98.27 6.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.818 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 13.0 tp -42.37 -24.06 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.933 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.455 ' CG ' HD13 ' A' ' 109' ' ' LEU . 44.8 mt-30 -76.38 -40.71 50.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.929 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.445 ' HA ' ' CG2' ' A' ' 48' ' ' THR . 42.7 mt-30 -85.45 -48.25 9.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.889 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -43.85 -22.55 0.06 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.838 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.423 ' CG2' HG12 ' A' ' 112' ' ' ILE . 25.4 m -114.94 40.26 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.118 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.445 ' CG2' ' HA ' ' A' ' 45' ' ' GLN . 2.8 p -89.69 -34.71 16.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.148 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.452 ' O ' ' CB ' ' A' ' 81' ' ' ASN . 1.9 m-20 -105.93 -15.53 14.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.825 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 89.33 -20.88 31.47 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.504 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 99.5 t -54.78 -69.75 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.839 0.352 . . . . 0.0 111.156 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.7 tt -53.58 -32.14 49.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.91 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.9 tp -61.77 -56.49 19.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.901 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -58.75 -40.4 83.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.09 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.469 HE22 ' CE1' ' A' ' 36' ' ' HIS . 25.2 mt-30 -39.44 -36.46 0.37 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.957 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 4.5 mp -85.35 -55.35 6.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.118 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 14.4 mt -42.59 -55.67 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.113 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.422 ' O ' ' N ' ' A' ' 62' ' ' ASN . 32.1 mt-30 -52.72 -37.63 59.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.908 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 82.0 t -70.83 -67.55 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.16 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.475 HG23 ' CZ ' ' A' ' 30' ' ' TYR . 10.9 p -51.17 -30.5 9.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.094 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -90.63 -25.73 19.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.117 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.422 ' N ' ' O ' ' A' ' 58' ' ' GLN . 3.8 m120 71.74 31.94 2.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.914 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -137.03 154.45 50.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.902 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 10.4 ttpp -104.08 129.91 51.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.866 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 10.0 mt -91.05 120.61 40.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.12 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -86.71 -18.24 31.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.873 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -84.69 32.97 0.51 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.839 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 29.9 mm -114.05 125.22 71.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.115 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 53.0 t30 -66.84 -61.97 1.68 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 110.6 -64.14 0.26 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.51 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 20.7 p -120.01 83.95 31.84 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.543 0.687 . . . . 0.0 110.869 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 137.06 34.46 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.698 2.266 . . . . 0.0 112.332 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.405 ' HD2' ' N ' ' A' ' 73' ' ' LYS . 0.0 OUTLIER -111.08 -45.51 3.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.905 179.909 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -86.83 168.88 13.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.884 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.17 -25.35 61.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.835 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 82.1 p -88.85 -28.16 20.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.888 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 24.3 mm-40 -53.86 -28.19 34.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.858 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 19.8 mtt -73.08 -43.77 61.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.879 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.447 ' CD1' ' HA ' ' A' ' 102' ' ' GLU . 47.9 mm -41.93 -55.08 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.154 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -47.81 -54.59 11.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.866 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.452 ' CB ' ' O ' ' A' ' 49' ' ' ASP . 1.8 m-20 -38.5 -69.92 0.11 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.88 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 18.2 mt -54.88 -44.4 72.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.113 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -48.32 -53.82 16.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.922 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -50.89 -44.12 59.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.095 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 42.6 m -61.89 -51.46 68.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.86 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 73.8 mt -51.75 -47.53 64.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.897 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 69.4 m-80 -69.46 -42.6 74.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.908 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.531 ' CD1' ' C ' ' A' ' 88' ' ' PHE . 1.2 t80 -57.23 -37.4 72.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.908 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 22.8 mt -70.04 -56.62 6.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.896 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -43.94 -41.48 5.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.142 179.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -61.07 -40.06 92.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.117 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 63.9 mmtt -63.19 -25.41 68.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.854 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 119.89 35.89 0.87 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.496 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.465 ' CD1' ' HB2' ' A' ' 122' ' ' TYR . 31.7 mt . . . . . 0 C--N 1.329 -0.317 0 CA-C-O 120.848 0.356 . . . . 0.0 111.14 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.459 -0.256 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 22.3 mt -68.17 175.39 3.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.828 0.347 . . . . 0.0 110.925 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 15.3 m -151.99 106.64 3.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.883 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -44.43 -48.73 9.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.154 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.447 ' HA ' ' CD1' ' A' ' 79' ' ' ILE . 29.2 tt0 -55.3 -54.64 40.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -50.74 -53.92 27.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.921 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 10.0 mt -47.53 -50.77 8.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.169 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 21.4 ttt-85 -55.27 -30.09 59.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.894 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 82.1 m-20 -81.41 -13.82 57.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 89.87 24.71 29.25 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.486 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . 0.435 ' O ' ' CD1' ' A' ' 112' ' ' ILE . 13.8 t30 -66.5 99.45 0.57 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.901 0.382 . . . . 0.0 110.885 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.455 HD13 ' CG ' ' A' ' 44' ' ' GLN . 4.2 tp -37.31 -69.9 0.11 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.896 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . 0.441 ' N ' ' HD3' ' A' ' 110' ' ' LYS . 0.0 OUTLIER -34.54 -42.19 0.14 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.939 179.857 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -68.24 -63.33 1.08 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.08 179.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.435 ' CD1' ' O ' ' A' ' 108' ' ' ASN . 5.4 mp -52.95 -56.26 8.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.115 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.464 HD21 ' N ' ' A' ' 20' ' ' LYS . 32.8 mt -48.93 -54.26 16.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.938 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -51.73 -40.82 49.49 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.507 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.558 ' CD2' ' N ' ' A' ' 116' ' ' PHE . 0.1 OUTLIER -60.06 -58.82 6.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.864 0.364 . . . . 0.0 110.929 -179.933 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . 0.558 ' N ' ' CD2' ' A' ' 115' ' ' LEU . 10.7 m-85 -63.12 -17.86 62.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.879 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . 0.467 ' CD1' ' C ' ' A' ' 117' ' ' PHE . 4.6 t80 -73.43 -35.99 65.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.878 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 5.7 t -93.88 -35.45 12.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.845 -179.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 3.5 tp -56.87 -57.04 14.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.894 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 34.3 t -44.44 -41.22 6.1 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.876 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 11.8 mmp_? -46.93 -50.86 18.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.897 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' TYR . . . . . 0.465 ' HB2' ' CD1' ' A' ' 94' ' ' ILE . 17.1 t80 -40.94 -53.28 2.97 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.893 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 10.4 tptp -73.28 -48.75 32.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.903 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 36.5 mm-40 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.917 179.96 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.4 ' O ' ' N ' ' A' ' 18' ' ' ASP . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 61.6 mt -38.49 -52.54 1.59 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.762 0.315 . . . . 0.0 110.939 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -60.05 -40.53 89.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.917 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.4 ' N ' ' O ' ' A' ' 15' ' ' GLY . 11.1 m-20 -66.17 -28.85 69.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.852 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -67.53 -45.72 74.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.926 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 27.0 tttt -43.15 -43.77 4.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.89 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.9 tpt180 -66.13 -50.36 64.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.856 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 59.1 mt -51.59 -46.69 37.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.168 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -66.79 -47.05 73.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.945 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.499 ' O ' ' ND2' ' A' ' 28' ' ' ASN . 53.5 m -46.26 -45.01 16.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.125 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -71.15 -38.94 72.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.896 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . 0.567 ' CZ2' ' HA ' ' A' ' 120' ' ' SER . 76.8 t90 -54.53 -47.08 73.57 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.937 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -71.84 -42.85 66.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.11 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.499 ' ND2' ' O ' ' A' ' 24' ' ' THR . 1.8 m-80 -45.5 -43.24 11.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.855 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 2.8 t60 -54.05 -49.22 69.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 79.0 m-85 -65.47 -19.97 66.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.941 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 27.2 mt -86.35 -39.61 16.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.907 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -77.78 -27.31 50.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.117 179.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.5 ptmm? -70.54 -35.72 73.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.938 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.1 m -92.49 24.07 3.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.851 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 50.45 71.13 0.68 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.494 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.446 ' CE1' ' HB3' ' A' ' 38' ' ' ARG . 12.7 t-80 -110.18 128.76 55.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.867 0.365 . . . . 0.0 110.869 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.0 mptt -84.05 46.68 1.22 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.446 ' HB3' ' CE1' ' A' ' 36' ' ' HIS . 40.1 ttm180 -174.78 153.55 1.77 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.886 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 39.8 mt -132.6 178.96 6.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.936 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 96.7 mt -100.94 115.03 41.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.152 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 69.6 mtm180 -88.8 -60.45 1.96 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.909 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.473 ' O ' ' N ' ' A' ' 45' ' ' GLN . 1.6 m-20 -113.82 98.92 7.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.856 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.467 HD11 ' CE2' ' A' ' 116' ' ' PHE . 13.1 tp -41.27 -39.87 1.48 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.902 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -67.71 -35.71 79.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.912 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.473 ' N ' ' O ' ' A' ' 42' ' ' ASP . 30.0 mt-30 -97.78 5.31 49.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.927 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.402 ' N ' ' O ' ' A' ' 42' ' ' ASP . 0.2 OUTLIER -94.57 -30.34 14.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 179.932 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 23.8 m -108.32 33.41 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.09 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 2.5 p -85.08 -35.93 21.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.146 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -98.96 -21.34 16.31 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.829 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 89.17 -24.65 12.58 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.47 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 58.8 t -54.71 -69.85 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.815 0.341 . . . . 0.0 111.105 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.455 ' HA ' ' NE2' ' A' ' 55' ' ' GLN . 2.2 tt -50.82 -41.98 57.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.893 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.4 tp -52.52 -47.31 66.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.885 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.94 -37.37 85.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.085 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.455 ' NE2' ' HA ' ' A' ' 52' ' ' LEU . 25.7 mt-30 -48.36 -22.82 0.76 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.965 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.439 ' CD1' ' O ' ' A' ' 52' ' ' LEU . 5.3 mp -98.14 -49.0 12.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.137 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 79.7 mt -51.36 -49.3 31.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.093 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -56.77 -28.56 61.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.926 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 10.6 t -79.75 -66.25 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.143 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 6.2 p -50.29 -42.08 20.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.141 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -83.66 -12.37 56.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.093 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 57.2 t30 56.88 41.37 28.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.939 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -139.6 160.85 38.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 10.7 ttpt -110.7 131.03 55.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.403 ' CG2' HG12 ' A' ' 68' ' ' ILE . 12.4 mt -97.54 118.76 44.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.113 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -87.79 -17.71 31.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.91 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 13.9 t0 -86.49 33.77 0.64 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.868 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.403 HG12 ' CG2' ' A' ' 65' ' ' ILE . 44.6 mm -114.31 129.68 69.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.114 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 42.2 t30 -64.42 -70.89 0.2 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.857 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 106.6 -39.36 2.9 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.494 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 10.8 t -133.63 75.29 68.92 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.604 0.716 . . . . 0.0 110.891 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 140.15 41.96 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.65 2.233 . . . . 0.0 112.384 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 22.6 mmtp -130.32 -36.26 1.5 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.9 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -90.12 166.82 13.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.949 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.401 ' HD2' ' N ' ' A' ' 76' ' ' SER . 0.2 OUTLIER -70.11 -25.54 63.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 -179.957 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.461 ' O ' ' N ' ' A' ' 79' ' ' ILE . 24.4 p -91.05 -43.31 10.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.866 -179.818 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -41.11 -35.88 0.63 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.917 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 18.3 mtt -66.59 -39.06 88.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.905 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.461 ' N ' ' O ' ' A' ' 76' ' ' SER . 16.8 mm -51.31 -56.45 5.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.159 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -43.62 -54.21 5.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.865 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -40.32 -69.46 0.13 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 24.1 mt -54.14 -43.4 59.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.111 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -50.15 -56.59 10.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -49.17 -46.38 45.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.113 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 83.9 m -58.27 -39.85 80.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.886 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 45.7 mt -66.57 -45.41 79.39 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.912 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 58.0 m-80 -68.05 -34.28 76.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.888 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.46 ' CD1' ' C ' ' A' ' 88' ' ' PHE . 2.1 t80 -70.36 -42.48 71.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.855 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 30.5 mt -68.98 -40.56 78.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.913 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -55.75 -42.49 75.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.086 179.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -59.55 -25.82 64.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.143 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 38.1 mmtt -79.9 -23.43 41.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.928 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 118.61 36.61 0.9 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.505 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 61.9 mt . . . . . 0 C--N 1.33 -0.278 0 CA-C-O 120.879 0.371 . . . . 0.0 111.093 -179.951 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 60.1 mt -59.86 168.52 1.75 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.755 0.312 . . . . 0.0 110.96 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 22.4 m -153.85 107.46 2.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.841 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -45.48 -52.13 10.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.104 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -51.1 -49.21 61.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.878 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -61.41 -42.37 98.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 58.6 mt -61.07 -45.54 98.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.116 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 28.3 ttt-85 -61.26 -28.95 69.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.878 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 35.1 m-20 -74.81 -25.5 59.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.893 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 96.54 24.39 14.01 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.483 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 59.8 t30 -71.93 104.43 3.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.806 0.336 . . . . 0.0 110.882 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 10.8 tp -40.89 -52.49 3.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.923 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 3.8 mmmm -45.46 -40.58 8.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.954 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -70.73 -65.71 0.7 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.109 179.781 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.455 ' CG2' ' HG ' ' A' ' 43' ' ' LEU . 5.3 mp -44.36 -61.08 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.116 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.418 ' O ' ' CB ' ' A' ' 117' ' ' PHE . 63.5 mt -46.44 -39.24 10.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.974 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -64.76 -37.63 94.59 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.489 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.565 ' CD2' ' N ' ' A' ' 116' ' ' PHE . 0.1 OUTLIER -69.68 -58.84 3.44 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.922 0.391 . . . . 0.0 110.969 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . 0.565 ' N ' ' CD2' ' A' ' 115' ' ' LEU . 10.7 m-85 -63.68 -15.51 58.57 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.931 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . 0.568 ' CD1' ' C ' ' A' ' 117' ' ' PHE . 0.6 OUTLIER -77.49 -35.83 53.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.875 -179.958 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 9.9 p -93.86 -34.18 13.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.813 -179.765 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 14.0 tp -60.01 -53.48 57.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.933 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' SER . . . . . 0.567 ' HA ' ' CZ2' ' A' ' 26' ' ' TRP . 8.9 t -50.43 -32.4 17.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 36.6 mtp85 -63.07 -48.38 78.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.862 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' TYR . . . . . 0.496 ' CD1' ' C ' ' A' ' 122' ' ' TYR . 0.4 OUTLIER -39.6 -43.0 1.26 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.925 -179.87 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 8.6 tptp -88.94 -54.76 3.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.905 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 22.0 mm-40 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 179.989 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.432 ' O ' ' C ' ' A' ' 16' ' ' LEU . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.47 HD21 ' CD1' ' A' ' 113' ' ' LEU . 86.5 mt -35.93 -58.22 0.65 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.794 0.33 . . . . 0.0 110.931 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -55.12 -43.93 74.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.923 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -60.28 -32.71 71.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.87 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.415 ' O ' ' C ' ' A' ' 20' ' ' LYS . 31.5 mt-30 -61.29 -53.57 55.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.909 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 19' ' ' GLN . 40.9 tttt -36.16 -48.78 0.64 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.926 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.455 ' HD2' ' N ' ' A' ' 22' ' ' ILE . 1.6 tmm_? -59.35 -59.09 6.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.859 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.455 ' N ' ' HD2' ' A' ' 21' ' ' ARG . 62.0 mt -41.41 -50.32 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.124 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.416 ' CD1' ' HB3' ' A' ' 116' ' ' PHE . 24.9 m-85 -67.42 -51.16 55.07 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.907 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 53.4 m -41.48 -58.38 1.92 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.12 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -60.0 -41.75 92.76 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.87 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 81.0 t90 -53.69 -44.33 69.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.92 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -75.0 -38.41 61.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.053 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -48.86 -32.36 8.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.877 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -64.38 -53.16 53.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 78.5 m-85 -60.81 -21.62 63.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.878 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 19.2 mt -86.64 -41.9 13.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.889 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -72.27 -27.65 62.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.151 179.773 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.5 ptmt -70.96 -39.65 72.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.898 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.4 t -84.8 26.64 0.81 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.895 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 49.21 58.04 8.38 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.489 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.588 ' CD2' ' HB3' ' A' ' 38' ' ' ARG . 58.5 t60 -96.72 122.75 40.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.855 0.36 . . . . 0.0 110.841 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -79.19 50.34 1.05 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.588 ' HB3' ' CD2' ' A' ' 36' ' ' HIS . 33.9 ttm180 -176.07 169.65 2.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.89 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.461 ' N ' ' HG2' ' A' ' 38' ' ' ARG . 59.5 mt -144.12 171.95 13.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.923 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 44.3 mt -94.71 112.49 27.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.129 179.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 6.7 tpm_? -84.64 -61.91 1.68 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.857 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.412 ' HA ' ' CE ' ' A' ' 20' ' ' LYS . 6.3 m-20 -114.94 100.03 7.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.849 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.542 HD11 ' CE2' ' A' ' 116' ' ' PHE . 13.8 tp -44.85 -24.29 0.2 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.868 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.411 ' CD ' HD12 ' A' ' 109' ' ' LEU . 44.2 mt-30 -78.23 -39.93 38.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.894 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.451 ' HA ' ' CG2' ' A' ' 48' ' ' THR . 96.2 mm-40 -85.69 -54.65 4.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -42.55 -23.49 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.869 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.434 ' N ' ' O ' ' A' ' 45' ' ' GLN . 11.3 m -111.05 39.54 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.125 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.451 ' CG2' ' HA ' ' A' ' 45' ' ' GLN . 7.0 p -94.04 -32.59 13.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.127 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.491 ' O ' ' ND2' ' A' ' 81' ' ' ASN . 0.1 OUTLIER -101.49 -11.97 18.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 179.909 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 78.21 -13.26 15.88 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.501 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 62.7 t -66.65 -65.11 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.851 0.358 . . . . 0.0 111.151 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 2.0 tt -56.67 -28.79 61.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.943 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.2 tp -64.83 -56.22 14.81 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.879 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -56.99 -36.52 70.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.115 179.77 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.464 HE22 ' CE1' ' A' ' 36' ' ' HIS . 19.0 mt-30 -44.18 -30.46 0.78 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 5.0 mp -90.98 -45.38 14.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.117 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 15.8 mt -54.95 -42.61 64.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.134 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 29.6 mt-30 -68.63 -17.46 64.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.922 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 78.7 t -93.79 -36.81 7.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.105 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 3.3 p -84.93 -27.4 6.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.171 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -94.89 -13.42 25.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.135 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 5.6 m120 61.0 47.08 7.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.925 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 8.4 tm-20 -152.35 161.07 43.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 21.3 ttpt -110.22 132.0 54.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.904 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 12.7 mt -94.77 102.83 14.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.119 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -74.09 -15.74 61.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -86.52 37.24 0.73 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.909 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 30.7 mm -117.62 120.75 65.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.161 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.529 ' ND2' ' CD ' ' A' ' 77' ' ' GLN . 35.9 t-20 -60.44 -50.71 72.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.872 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 101.7 -75.71 0.35 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.428 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 1.8 m -112.61 76.56 2.12 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.652 0.739 . . . . 0.0 110.899 -179.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.82 137.24 34.84 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.682 2.255 . . . . 0.0 112.308 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.26 -21.22 5.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.901 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -92.52 140.32 29.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.916 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 5.8 tpt180 -48.29 -24.99 1.36 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.879 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 65.4 p -96.87 -28.13 14.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.852 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . 0.529 ' CD ' ' ND2' ' A' ' 69' ' ' ASN . 6.8 mm-40 -47.42 -41.1 19.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.887 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 2.1 mpt? -66.27 -46.42 77.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 47.5 mm -41.15 -51.82 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.11 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -52.41 -44.47 65.39 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.915 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.491 ' ND2' ' O ' ' A' ' 49' ' ' ASP . 3.0 m120 -47.47 -70.45 0.09 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.921 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.432 ' CG2' HD13 ' A' ' 104' ' ' ILE . 5.3 mp -50.5 -41.0 19.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.134 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -56.46 -47.15 79.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.897 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -53.25 -48.1 68.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.083 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 34.1 m -58.64 -45.06 90.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 79.2 mt -59.22 -45.31 91.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 68.9 m-80 -69.85 -38.85 76.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.468 ' CZ ' ' NZ ' ' A' ' 92' ' ' LYS . 1.3 t80 -62.56 -40.0 95.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.884 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 27.2 mt -67.6 -49.97 60.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.974 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -49.26 -41.02 36.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.144 179.745 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -63.07 -26.44 68.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.128 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . 0.468 ' NZ ' ' CZ ' ' A' ' 88' ' ' PHE . 28.9 mmtp -80.62 -13.56 58.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 106.77 33.97 3.16 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.506 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 47.1 mt . . . . . 0 C--N 1.329 -0.294 0 CA-C-O 120.822 0.344 . . . . 0.0 111.112 -179.955 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.252 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 78.3 mt -64.95 159.65 22.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.847 0.356 . . . . 0.0 110.882 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 42.4 m -137.9 107.95 6.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.854 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -49.37 -37.29 24.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.07 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -63.97 -50.12 69.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.865 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -55.51 -40.54 71.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.888 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.432 HD13 ' CG2' ' A' ' 82' ' ' ILE . 16.8 mt -63.73 -44.57 98.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.11 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 8.3 ttt85 -57.58 -32.2 66.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.848 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 39.9 m-20 -77.85 -24.28 48.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 96.35 35.07 5.6 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.516 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . 0.455 ' ND2' ' HB2' ' A' ' 110' ' ' LYS . 0.2 OUTLIER -78.88 106.23 10.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.82 0.343 . . . . 0.0 110.897 -179.881 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.411 HD12 ' CD ' ' A' ' 44' ' ' GLN . 8.7 tp -43.93 -51.11 7.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . 0.455 ' HB2' ' ND2' ' A' ' 108' ' ' ASN . 3.6 mmmp? -51.2 -31.53 20.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.866 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -78.63 -60.45 2.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.167 179.784 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.423 ' CG2' ' HG ' ' A' ' 43' ' ' LEU . 4.9 mp -51.08 -57.74 2.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.164 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.47 ' CD1' HD21 ' A' ' 16' ' ' LEU . 62.8 mt -40.88 -49.66 3.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.912 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -53.87 -42.77 70.24 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.449 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.567 ' CD2' ' CD2' ' A' ' 116' ' ' PHE . 0.2 OUTLIER -64.19 -59.96 3.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.859 0.361 . . . . 0.0 110.95 -179.939 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . 0.567 ' CD2' ' CD2' ' A' ' 115' ' ' LEU . 10.9 m-85 -64.45 -16.31 62.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . 0.423 ' CD1' ' C ' ' A' ' 117' ' ' PHE . 9.0 t80 -76.79 -32.53 57.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.868 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 3.0 m -94.62 -46.17 7.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.868 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 8.2 tp -45.55 -54.54 7.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.911 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 25.2 p -47.29 -43.48 22.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 65.4 mtp180 -51.43 -53.2 39.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.914 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' TYR . . . . . 0.468 ' CD1' ' C ' ' A' ' 122' ' ' TYR . 1.0 OUTLIER -42.02 -47.02 4.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.958 -179.9 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 16.5 tptp -72.21 -53.86 11.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.902 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.929 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 N-CA-C 112.459 -0.256 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 89.5 mt -39.41 -56.7 1.54 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.768 0.318 . . . . 0.0 110.955 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 27.3 mm-40 -55.0 -42.45 72.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.41 -38.04 85.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.839 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.432 ' O ' ' C ' ' A' ' 20' ' ' LYS . 20.5 mt-30 -55.36 -54.87 38.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.9 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' A' ' 19' ' ' GLN . 29.3 tttt -34.39 -41.57 0.12 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.428 ' O ' ' C ' ' A' ' 22' ' ' ILE . 28.8 ttt85 -67.63 -60.4 2.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.854 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.428 ' C ' ' O ' ' A' ' 21' ' ' ARG . 92.7 mt -35.8 -53.87 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.146 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 25.0 m-85 -66.15 -45.79 79.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.854 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 59.3 m -46.19 -55.03 7.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.139 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -62.14 -41.18 98.02 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.863 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 80.8 t90 -57.12 -55.15 38.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.939 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.66 -50.24 70.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.101 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 19.9 m-20 -40.63 -43.37 1.9 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.848 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.527 ' CE1' ' HE2' ' A' ' 33' ' ' LYS . 6.5 t60 -51.71 -46.86 64.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.82 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 82.8 m-85 -63.75 -23.78 67.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.992 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.45 ' O ' ' CB ' ' A' ' 36' ' ' HIS . 19.3 mt -80.84 -40.68 24.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.919 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -71.43 -46.45 60.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.072 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.527 ' HE2' ' CE1' ' A' ' 29' ' ' HIS . 12.1 ptpt -57.55 -35.56 70.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.914 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.43 ' O ' ' C ' ' A' ' 35' ' ' GLY . 7.1 t -88.13 38.03 0.84 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.891 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.43 ' C ' ' O ' ' A' ' 34' ' ' SER . . . 35.71 65.33 0.47 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.493 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.564 ' CD2' ' HB3' ' A' ' 38' ' ' ARG . 14.3 t60 -111.75 135.84 51.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.859 0.361 . . . . 0.0 110.848 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 40.3 mttp -97.34 53.89 1.18 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.898 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.564 ' HB3' ' CD2' ' A' ' 36' ' ' HIS . 9.5 ttp-105 -176.05 133.27 0.25 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.865 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 45.5 mt -109.4 -175.46 2.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.938 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 68.4 mt -102.57 113.05 38.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.143 179.815 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 18.3 mmt180 -83.48 -65.69 0.98 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.864 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.427 ' O ' ' N ' ' A' ' 46' ' ' ASP . 1.0 OUTLIER -115.32 98.06 6.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.822 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.567 HD13 ' CE2' ' A' ' 116' ' ' PHE . 15.2 tp -38.11 -38.38 0.33 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.939 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 90.7 mt-30 -66.49 -46.99 74.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.931 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.41 ' N ' ' O ' ' A' ' 42' ' ' ASP . 5.0 mm100 -84.27 -8.14 59.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.958 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.427 ' N ' ' O ' ' A' ' 42' ' ' ASP . 0.9 OUTLIER -90.46 -3.61 57.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 179.913 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 15.4 m -127.49 -10.28 4.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.137 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 11.2 p -60.18 -42.21 94.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.133 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -81.19 -30.72 34.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.857 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 87.91 -28.59 5.92 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.466 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 60.1 t -55.92 -67.46 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.897 0.379 . . . . 0.0 111.114 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.3 tt -54.82 -38.2 67.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.908 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.9 tp -56.04 -55.42 33.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.449 ' O ' ' N ' ' A' ' 56' ' ' ILE . . . -54.81 -45.3 74.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.085 179.845 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.561 ' NE2' ' CE1' ' A' ' 36' ' ' HIS . 14.4 mt-30 -39.11 -27.87 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.922 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.449 ' N ' ' O ' ' A' ' 54' ' ' ALA . 18.0 mt -90.0 -53.65 8.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.125 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.444 ' CD1' ' HB3' ' A' ' 85' ' ' CYS . 66.6 mt -47.99 -46.18 12.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.148 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -58.47 -29.04 65.89 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.907 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 98.2 t -82.43 -57.84 4.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.074 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 7.5 p -62.3 -26.08 39.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.098 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.41 ' HB3' ' NZ ' ' A' ' 92' ' ' LYS . . . -96.28 -10.45 27.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.113 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 18.5 m-80 56.3 32.99 21.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.86 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -139.03 170.54 15.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 20.1 tttt -119.93 137.52 54.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.957 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.468 ' HB ' ' CG1' ' A' ' 68' ' ' ILE . 23.4 mt -97.69 114.03 33.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.131 179.872 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -74.4 -27.84 60.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.877 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.467 ' CB ' ' HB1' ' A' ' 84' ' ' ALA . 13.3 m-20 -79.61 44.19 0.61 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.893 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.468 ' CG1' ' HB ' ' A' ' 65' ' ' ILE . 32.8 mm -118.42 128.58 75.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.162 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 46.7 t-20 -75.36 -58.54 3.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.919 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 98.51 -36.6 3.9 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.519 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 33.7 m -129.72 73.78 81.23 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.649 0.738 . . . . 0.0 110.887 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 106.72 1.72 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.689 2.259 . . . . 0.0 112.335 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 23.7 mtmm -109.39 -48.05 3.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.911 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 25.0 t30 -63.59 168.2 4.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.908 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 10.1 tpp180 -71.93 -37.09 70.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.878 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 67.3 p -90.91 -24.27 20.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.845 -179.786 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 6.4 mm-40 -47.09 -47.65 22.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.891 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 14.6 mtt -52.84 -49.96 64.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.902 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.437 ' O ' ' C ' ' A' ' 80' ' ' GLU . 51.0 mm -41.58 -62.82 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.105 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . 0.437 ' C ' ' O ' ' A' ' 79' ' ' ILE . 24.7 mm-40 -35.23 -60.68 0.47 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 21.7 m-20 -39.21 -69.22 0.13 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.849 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 46.2 mt -52.77 -38.7 28.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.179 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -56.93 -50.19 73.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.89 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.467 ' HB1' ' CB ' ' A' ' 67' ' ' ASP . . . -51.21 -44.09 61.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.122 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . 0.444 ' HB3' ' CD1' ' A' ' 57' ' ' ILE . 56.5 m -61.18 -44.1 97.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 -179.895 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 53.9 mt -63.37 -54.52 35.52 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.94 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 66.3 m-80 -62.76 -37.28 86.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.869 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 27.3 t80 -67.07 -35.55 80.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.872 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 44.7 mt -74.38 -43.9 54.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.919 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -50.91 -50.61 57.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.085 179.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -51.14 -30.25 16.01 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.091 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . 0.41 ' NZ ' ' HB3' ' A' ' 61' ' ' ALA . 22.6 mmtp -74.79 -25.17 58.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.879 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 118.66 38.42 0.77 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.471 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.43 ' CD1' ' HB2' ' A' ' 122' ' ' TYR . 62.3 mt . . . . . 0 C--N 1.329 -0.309 0 CA-C-O 120.877 0.37 . . . . 0.0 111.131 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 42.3 mt -64.29 177.01 0.91 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.815 0.341 . . . . 0.0 110.925 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 4.1 m -158.41 112.91 2.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.859 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -47.48 -46.57 27.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.082 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -54.34 -52.35 61.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.914 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -58.37 -47.1 84.92 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.939 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 45.7 mt -57.95 -42.03 81.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.155 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 7.2 ttt-85 -63.24 -28.43 70.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.896 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 48.7 m-80 -73.15 -28.39 62.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.888 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 97.38 25.01 11.41 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.419 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . 0.452 ' O ' ' CD1' ' A' ' 112' ' ' ILE . 40.6 t-20 -74.16 109.11 7.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.851 0.358 . . . . 0.0 110.92 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 3.1 tp -43.3 -50.74 6.55 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 4.5 mmmp? -51.38 -35.14 37.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.858 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -75.63 -60.75 2.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.095 179.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.452 ' CD1' ' O ' ' A' ' 108' ' ' ASN . 5.4 mp -52.06 -61.05 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.131 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 90.7 mt -39.12 -42.69 0.96 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.953 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -58.93 -50.04 71.92 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.484 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.537 ' CD2' ' CD2' ' A' ' 116' ' ' PHE . 0.3 OUTLIER -52.09 -59.21 4.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.897 0.38 . . . . 0.0 110.931 -179.941 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . 0.567 ' CE2' HD13 ' A' ' 43' ' ' LEU . 10.9 m-85 -64.29 -28.38 69.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . 0.485 ' CD1' ' C ' ' A' ' 117' ' ' PHE . 1.9 t80 -62.92 -34.09 76.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.865 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 46.0 m -94.84 -48.42 6.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.832 -179.774 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 12.6 tp -41.92 -55.57 3.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.908 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 3.0 t -46.01 -44.18 14.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.805 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . 0.436 ' NH1' ' HB3' ' A' ' 121' ' ' ARG . 11.7 mtp-105 -50.1 -54.68 18.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.836 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' TYR . . . . . 0.43 ' HB2' ' CD1' ' A' ' 94' ' ' ILE . 2.7 t80 -39.51 -44.64 1.44 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.895 -179.854 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 20.5 tptp -79.31 -44.77 20.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.927 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 179.918 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 N-CA-C 112.532 -0.227 . . . . 0.0 112.532 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 95.6 mt -44.8 -59.4 2.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.753 0.311 . . . . 0.0 110.916 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.458 ' HG2' ' N ' ' A' ' 18' ' ' ASP . 1.9 pm0 -55.4 -33.27 63.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.905 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.458 ' N ' ' HG2' ' A' ' 17' ' ' GLU . 1.1 m-20 -71.41 -35.01 70.85 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 22.8 mt-30 -60.68 -43.95 97.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.919 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 35.1 tttt -41.68 -40.73 2.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 17.5 tpt180 -68.61 -50.88 48.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 66.3 mt -48.79 -45.81 15.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.169 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 29.8 m-85 -68.25 -45.25 73.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.492 ' O ' ' ND2' ' A' ' 28' ' ' ASN . 53.3 m -44.41 -51.35 8.71 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.18 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -62.78 -42.98 99.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.849 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 66.9 t90 -53.08 -51.66 61.1 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.882 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.11 -38.83 86.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.118 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.492 ' ND2' ' O ' ' A' ' 24' ' ' THR . 1.3 m-80 -48.07 -47.77 33.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.866 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 7.7 t60 -48.13 -54.01 14.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.885 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 83.7 m-85 -57.81 -27.5 63.18 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.912 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 12.0 mt -78.74 -45.79 20.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.886 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.69 -45.15 87.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.101 179.793 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.6 ptmm? -58.29 -35.43 71.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.886 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 38.0 t -91.81 31.79 1.18 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.864 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 46.46 69.63 0.81 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.509 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.49 ' CE1' HE22 ' A' ' 55' ' ' GLN . 6.5 t60 -134.11 78.63 1.77 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.886 0.374 . . . . 0.0 110.841 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.455 ' C ' ' O ' ' A' ' 36' ' ' HIS . 26.4 mttm -34.16 -63.88 0.26 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.911 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.439 ' HB3' ' CD2' ' A' ' 36' ' ' HIS . 47.0 ttm-85 -42.4 151.72 0.11 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.864 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 66.2 mt -135.62 169.98 16.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.932 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 91.8 mt -85.03 103.08 11.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.098 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 37.2 mmt-85 -83.16 -58.05 3.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.848 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.413 ' O ' ' N ' ' A' ' 46' ' ' ASP . 1.1 m-20 -115.15 101.29 8.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.874 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.575 HD11 ' CE2' ' A' ' 116' ' ' PHE . 10.9 tp -54.67 -37.73 66.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.893 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.458 ' NE2' ' HB2' ' A' ' 109' ' ' LEU . 16.8 mt-30 -77.43 4.13 11.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.919 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 9.2 mm-40 -129.92 -19.36 3.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.907 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.413 ' N ' ' O ' ' A' ' 42' ' ' ASP . 42.0 m-20 -87.96 -26.35 22.71 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.864 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 34.5 m -90.56 -24.98 5.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.182 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 66.7 p -51.37 -45.03 62.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.13 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -74.46 -29.85 61.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.881 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 83.36 -24.91 5.24 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.479 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 86.5 t -59.16 -64.13 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.846 0.355 . . . . 0.0 111.147 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 2.0 tt -59.33 -37.98 79.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.913 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.7 tp -55.19 -50.12 70.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.406 ' O ' ' C ' ' A' ' 55' ' ' GLN . . . -60.52 -47.08 87.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.105 179.802 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.49 HE22 ' CE1' ' A' ' 36' ' ' HIS . 22.6 mt-30 -37.29 -36.46 0.14 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.935 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 3.2 mp -80.52 -49.35 18.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.132 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 49.7 mt -54.69 -60.43 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.098 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 44.3 mt-30 -45.0 -25.49 0.32 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.92 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.413 ' O ' ' N ' ' A' ' 62' ' ' ASN . 83.1 t -86.25 -69.04 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.147 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 5.2 p -46.34 -23.56 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.145 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -100.41 -22.55 15.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.131 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.413 ' N ' ' O ' ' A' ' 59' ' ' VAL . 18.4 t30 70.24 31.31 3.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.937 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -133.19 177.5 7.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.878 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 20.1 tttt -126.11 138.54 53.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.927 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.473 ' HB ' ' CG1' ' A' ' 68' ' ' ILE . 15.0 mt -99.72 115.74 41.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.154 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -78.51 -23.25 46.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.439 ' CB ' ' HB1' ' A' ' 84' ' ' ALA . 4.7 m-20 -83.75 42.3 0.84 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.854 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.473 ' CG1' ' HB ' ' A' ' 65' ' ' ILE . 35.4 mm -116.82 113.25 42.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.104 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 26.3 t30 -54.24 -54.59 37.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.863 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 104.21 -61.38 0.42 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.475 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 4.0 t -116.69 77.47 8.26 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.573 0.701 . . . . 0.0 110.871 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 131.08 20.5 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.732 2.288 . . . . 0.0 112.367 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 27.9 mtmm -129.61 -49.96 1.16 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.881 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -73.31 170.53 14.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.902 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 27.0 ttm180 -61.75 -54.03 47.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.853 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.41 ' HA ' ' CG1' ' A' ' 79' ' ' ILE . 1.3 t -68.01 -37.75 81.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.863 -179.828 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 6.5 mm-40 -39.61 -48.47 2.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.91 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 15.3 mtm -66.87 -37.65 84.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.41 ' CG1' ' HA ' ' A' ' 76' ' ' SER . 36.3 mm -50.43 -52.57 15.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.133 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -52.0 -47.68 64.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.869 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -45.3 -65.23 0.56 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.893 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.445 ' CG2' HD11 ' A' ' 104' ' ' ILE . 15.3 mt -60.83 -45.46 97.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.157 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -48.11 -48.4 33.86 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.831 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.439 ' HB1' ' CB ' ' A' ' 67' ' ' ASP . . . -54.77 -43.57 72.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.131 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 32.1 m -61.4 -43.11 99.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 42.5 mt -63.39 -52.78 60.19 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.881 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 68.3 m-80 -64.15 -37.94 89.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 16.6 t80 -67.61 -38.62 84.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 55.6 mt -71.35 -42.2 68.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.91 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -49.86 -49.91 47.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.107 179.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -52.22 -30.1 25.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.081 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 20.2 mmtp -74.81 -23.06 58.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.862 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 116.84 34.69 1.23 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.492 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 54.7 mt . . . . . 0 C--N 1.329 -0.303 0 CA-C-O 120.871 0.367 . . . . 0.0 111.122 -179.928 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.491 -0.243 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 47.4 mt -60.83 174.5 0.6 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.821 0.343 . . . . 0.0 110.899 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 37.9 m -151.41 117.13 5.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.878 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -57.51 -49.8 75.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.115 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -56.21 -40.01 73.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.888 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -65.79 -48.9 70.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.893 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.445 HD11 ' CG2' ' A' ' 82' ' ' ILE . 77.6 mt -55.84 -43.84 75.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.133 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 12.6 ttt-85 -60.49 -34.86 74.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.836 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 43.0 m-20 -68.74 -26.48 65.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.916 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 98.38 25.73 9.92 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.499 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 55.1 t30 -74.12 103.8 4.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.853 0.358 . . . . 0.0 110.906 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.458 ' HB2' ' NE2' ' A' ' 44' ' ' GLN . 23.2 tp -39.97 -52.93 2.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.925 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 5.3 mmmm -43.86 -38.87 3.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -72.74 -61.17 1.9 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.1 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.554 ' CG2' ' CD2' ' A' ' 43' ' ' LEU . 5.1 mp -46.92 -57.53 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.178 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 28.1 mt -50.02 -48.17 52.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.943 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -56.91 -41.67 91.87 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.506 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.602 ' CD2' ' CD2' ' A' ' 116' ' ' PHE . 0.4 OUTLIER -59.36 -61.93 2.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.862 0.363 . . . . 0.0 110.912 -179.934 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . 0.602 ' CD2' ' CD2' ' A' ' 115' ' ' LEU . 14.0 m-85 -65.07 -24.25 67.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.858 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . 0.534 ' CD1' ' C ' ' A' ' 117' ' ' PHE . 2.1 t80 -66.23 -36.71 83.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.839 -179.89 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 18.6 m -94.83 -50.01 5.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.855 -179.792 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 13.0 tp -42.5 -55.62 3.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.887 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 17.6 t -44.47 -42.9 7.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.881 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 68.8 mtp180 -47.5 -50.26 23.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.905 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 8.2 t80 -40.06 -55.56 2.05 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.919 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 13.7 tptp -67.65 -47.66 68.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.92 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.932 179.919 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.466 ' N ' ' HB2' ' A' ' 18' ' ' ASP . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.406 ' C ' ' O ' ' A' ' 15' ' ' GLY . 28.3 mt -35.88 -53.34 0.75 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.806 0.336 . . . . 0.0 110.92 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -64.75 -40.75 95.83 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.466 ' HB2' ' N ' ' A' ' 15' ' ' GLY . 10.9 m-20 -63.97 -29.43 70.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -67.19 -49.16 65.65 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 30.3 tttt -44.0 -56.79 3.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.848 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 8.4 tpt180 -50.78 -53.99 27.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.865 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 84.3 mt -44.53 -47.36 2.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.111 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.485 ' CD1' ' HB3' ' A' ' 116' ' ' PHE . 25.8 m-85 -67.53 -53.05 31.86 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.892 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.407 ' O ' ' ND2' ' A' ' 28' ' ' ASN . 98.1 m -40.91 -53.45 2.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.123 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 21.6 t0 -67.19 -39.39 86.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.828 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 72.6 t90 -55.18 -45.54 75.78 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.939 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.417 ' O ' ' C ' ' A' ' 28' ' ' ASN . . . -71.19 -47.37 57.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.073 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.417 ' C ' ' O ' ' A' ' 27' ' ' ALA . 1.8 m-80 -37.09 -51.92 0.98 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.899 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 9.8 t60 -45.14 -63.69 0.88 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 71.1 m-85 -47.28 -46.78 25.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.889 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 13.0 mt -56.28 -60.79 2.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.981 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -69.44 -9.42 53.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.08 179.791 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -83.47 -31.88 26.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.87 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.8 t -99.85 27.04 5.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.918 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 57.95 70.81 0.88 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.461 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 8.3 t-80 -116.09 145.86 42.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.852 0.358 . . . . 0.0 110.845 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 5.1 mtpm? -102.86 47.57 0.88 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 25.1 ttt180 -172.35 147.43 1.95 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 17.1 mt -122.65 -178.3 3.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.861 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.457 HG23 ' CB ' ' A' ' 46' ' ' ASP . 96.6 mt -109.06 109.41 28.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.154 179.853 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 75.2 mtt180 -80.01 -64.15 1.25 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.91 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.462 ' O ' ' N ' ' A' ' 45' ' ' GLN . 60.8 m-20 -113.59 102.43 10.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.859 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.484 HD11 ' CE2' ' A' ' 116' ' ' PHE . 12.9 tp -37.06 -47.34 0.73 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.935 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 55.8 mt-30 -57.71 -42.87 84.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.904 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.462 ' N ' ' O ' ' A' ' 42' ' ' ASP . 12.3 mm100 -82.01 -16.76 49.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.927 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.457 ' CB ' HG23 ' A' ' 40' ' ' ILE . 0.2 OUTLIER -80.12 -7.54 58.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.848 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 20.3 m -132.46 34.5 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.07 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.2 p -88.21 -34.35 17.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.149 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.429 ' O ' ' CB ' ' A' ' 81' ' ' ASN . 10.0 m-20 -105.5 -19.23 13.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.875 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 90.32 -27.26 8.69 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.501 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 45.5 t -53.06 -70.51 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.907 0.384 . . . . 0.0 111.149 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.3 tt -52.72 -36.64 57.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.95 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.6 tp -59.17 -50.8 72.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.915 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.13 -40.72 94.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.085 179.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 -42.5 -30.41 0.34 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.939 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 4.2 mp -88.43 -51.84 11.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.135 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.427 ' CD1' ' HB3' ' A' ' 85' ' ' CYS . 24.3 mt -48.1 -56.44 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.132 179.826 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 37.6 mt-30 -48.4 -30.74 5.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.938 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 82.9 t -80.01 -68.59 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.093 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 3.5 p -48.52 -24.41 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.142 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -99.22 -21.17 16.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.073 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 15.1 t-20 67.16 35.7 4.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.895 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -137.29 177.99 7.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.908 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 7.0 ttmt -126.61 138.21 53.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.887 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 16.9 mt -101.97 103.23 14.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.15 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -71.6 -14.23 62.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -89.2 36.8 0.83 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.85 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 38.8 mm -114.84 112.2 39.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.115 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 39.2 t30 -48.69 -73.65 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.845 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 128.85 -58.29 0.71 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.503 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 2.1 m -128.76 81.21 71.22 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.627 0.727 . . . . 0.0 110.871 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 107.27 1.81 Allowed 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.705 2.27 . . . . 0.0 112.32 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 30.3 mmtm -96.62 -37.54 10.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.904 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 -79.85 161.86 25.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.884 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 13.9 ttt180 -63.2 -36.93 85.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.91 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.466 ' O ' ' N ' ' A' ' 78' ' ' MET . 58.7 p -82.4 -43.19 17.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 -179.801 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . 0.401 ' C ' ' O ' ' A' ' 76' ' ' SER . 29.2 mt-30 -37.83 -29.37 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.944 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' MET . . . . . 0.466 ' N ' ' O ' ' A' ' 76' ' ' SER . 28.5 mtt -73.37 -46.24 50.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.88 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.465 ' N ' ' O ' ' A' ' 76' ' ' SER . 46.6 mm -45.51 -57.3 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.139 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . 0.416 ' O ' ' C ' ' A' ' 81' ' ' ASN . 4.5 mm-40 -42.48 -61.38 1.23 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.897 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.429 ' CB ' ' O ' ' A' ' 49' ' ' ASP . 6.9 m-20 -36.03 -71.04 0.08 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.875 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 15.2 mt -51.54 -37.39 19.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.167 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -58.89 -47.71 84.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.868 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -52.6 -46.88 67.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.095 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . 0.427 ' HB3' ' CD1' ' A' ' 57' ' ' ILE . 68.4 m -58.42 -41.27 84.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 50.7 mt -65.96 -49.71 66.92 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.894 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 69.9 m-80 -65.5 -34.26 77.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.882 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 6.6 t80 -70.11 -37.66 75.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.878 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 29.1 mt -73.07 -39.88 65.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.971 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -54.12 -45.77 72.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.098 179.769 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -57.5 -22.46 44.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.13 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 20.4 mmtp -84.87 -19.37 32.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 114.66 35.64 1.38 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.453 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 58.0 mt . . . . . 0 C--N 1.329 -0.313 0 CA-C-O 120.843 0.354 . . . . 0.0 111.086 -179.949 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.544 -0.222 . . . . 0.0 112.544 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 44.8 mt -66.66 179.84 0.99 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.856 0.36 . . . . 0.0 110.938 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 16.3 m -157.4 113.16 2.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.845 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -49.06 -50.01 38.71 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.083 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -49.25 -53.89 19.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.856 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -56.08 -44.42 78.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.866 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 39.6 mt -58.87 -42.06 84.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.133 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 20.2 ttt-85 -64.73 -29.03 70.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.898 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 -77.04 -22.1 53.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 94.94 20.18 29.14 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.501 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . 0.455 ' O ' ' CD1' ' A' ' 112' ' ' ILE . 14.9 t-20 -67.17 108.26 2.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.873 0.368 . . . . 0.0 110.892 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 9.7 tp -47.31 -57.48 5.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.894 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 21.3 mmtt -45.38 -28.54 0.88 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.879 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -82.22 -61.55 1.87 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.109 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.455 ' CD1' ' O ' ' A' ' 108' ' ' ASN . 5.1 mp -49.71 -54.36 7.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.124 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.42 ' O ' ' CB ' ' A' ' 117' ' ' PHE . 71.4 mt -46.86 -39.58 12.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -62.39 -38.61 96.56 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.472 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.558 ' CD2' ' CD2' ' A' ' 116' ' ' PHE . 0.2 OUTLIER -67.4 -58.96 3.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.859 0.361 . . . . 0.0 110.937 -179.899 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . 0.558 ' CD2' ' CD2' ' A' ' 115' ' ' LEU . 10.6 m-85 -65.43 -16.83 64.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . 0.42 ' CB ' ' O ' ' A' ' 113' ' ' LEU . 1.8 t80 -72.72 -35.73 67.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.89 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 41.5 p -94.38 -47.14 6.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.863 -179.804 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 9.2 tp -46.2 -49.71 16.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.925 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 9.1 t -53.95 -44.68 70.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 46.4 mtp85 -55.45 -50.2 70.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.857 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -42.26 -36.55 1.26 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.907 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . 0.433 ' O ' ' C ' ' A' ' 124' ' ' GLN . 19.1 tptt -85.29 -50.8 7.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.939 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' GLN . . . . . 0.433 ' C ' ' O ' ' A' ' 123' ' ' LYS . 32.9 mm-40 . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.885 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.439 ' O ' ' C ' ' A' ' 16' ' ' LEU . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.443 -0.263 . . . . 0.0 112.443 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.439 ' C ' ' O ' ' A' ' 15' ' ' GLY . 53.6 mt -35.4 -59.0 0.56 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.817 0.342 . . . . 0.0 110.931 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -53.2 -46.35 68.99 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.903 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -59.68 -41.72 91.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.857 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 -52.63 -51.85 58.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.926 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 41.1 tttt -38.36 -55.27 1.38 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.941 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.4 tpp180 -54.05 -52.07 62.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.87 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 85.0 mt -45.15 -44.47 3.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.074 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 31.2 m-85 -71.92 -50.65 27.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.937 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.437 HG22 ' ND2' ' A' ' 28' ' ' ASN . 98.0 m -40.71 -52.22 2.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.176 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -61.59 -39.93 92.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.858 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 75.1 t90 -60.08 -47.69 84.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.931 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.73 -41.13 72.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.076 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.437 ' ND2' HG22 ' A' ' 24' ' ' THR . 1.8 m-80 -48.19 -52.69 19.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 8.0 t60 -43.08 -52.5 5.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.882 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 91.1 m-85 -60.74 -30.2 69.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.945 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.47 ' O ' ' CB ' ' A' ' 36' ' ' HIS . 10.9 mt -74.92 -41.29 59.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.906 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -70.56 -45.58 65.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.095 179.789 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 4.3 ptmm? -59.88 -34.68 73.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.929 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.3 t -88.86 31.57 0.85 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.832 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 47.18 70.66 0.66 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.507 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.47 ' CB ' ' O ' ' A' ' 31' ' ' LEU . 3.9 t-80 -131.11 95.72 3.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.872 0.368 . . . . 0.0 110.868 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 45.1 mttp -48.9 -54.14 16.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.932 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.47 ' HG2' ' N ' ' A' ' 39' ' ' LEU . 23.5 ttm180 -64.92 148.66 51.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.867 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.47 ' N ' ' HG2' ' A' ' 38' ' ' ARG . 83.0 mt -129.36 -175.16 3.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.917 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.421 HG23 ' CG ' ' A' ' 46' ' ' ASP . 97.3 mt -98.99 113.22 33.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.148 179.833 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 28.0 mtp180 -88.14 -60.56 1.93 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.846 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.45 ' N ' ' OD1' ' A' ' 46' ' ' ASP . 28.5 m-20 -115.15 98.45 6.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.921 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.549 HD11 ' CE2' ' A' ' 116' ' ' PHE . 12.0 tp -46.91 -33.4 4.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -70.02 -41.3 74.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.89 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 18.6 mt-30 -100.38 14.1 32.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.45 ' OD1' ' N ' ' A' ' 42' ' ' ASP . 0.9 OUTLIER -102.74 -35.98 8.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 179.947 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 23.0 m -102.91 34.91 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.092 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 34.9 p -84.48 -36.84 21.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.12 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.474 ' O ' ' CB ' ' A' ' 81' ' ' ASN . 0.4 OUTLIER -97.37 -20.37 17.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.851 179.88 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 89.04 -28.99 6.19 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.482 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 84.8 t -46.76 -64.59 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.829 0.347 . . . . 0.0 111.119 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.473 ' HG ' ' NE2' ' A' ' 55' ' ' GLN . 2.4 tt -57.14 -39.03 74.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.457 ' CD1' HD11 ' A' ' 57' ' ' ILE . 5.4 tp -53.92 -54.95 31.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -54.29 -44.9 72.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.084 179.802 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.473 ' NE2' ' HG ' ' A' ' 52' ' ' LEU . 28.1 mt-30 -39.39 -37.0 0.41 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.909 -179.888 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 5.1 mp -85.01 -47.21 17.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.13 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.457 HD11 ' CD1' ' A' ' 53' ' ' LEU . 62.0 mt -53.99 -58.92 2.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.143 179.808 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -47.99 -31.35 5.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.906 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 41.5 t -78.58 -67.39 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.076 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 7.1 p -53.51 -23.26 7.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.199 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -99.94 -12.53 19.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.141 179.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 9.5 m-80 56.09 41.51 29.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.912 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -145.4 162.37 37.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.1 tppt? -111.75 136.14 51.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.858 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.462 ' HB ' ' CG1' ' A' ' 68' ' ' ILE . 18.8 mt -99.2 110.75 27.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.134 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -74.77 -28.5 60.77 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.888 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -79.49 43.57 0.56 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.878 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.462 ' CG1' ' HB ' ' A' ' 65' ' ' ILE . 36.5 mm -116.44 134.17 60.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.114 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -123.44 100.31 6.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -80.76 37.44 2.3 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.494 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 3.3 t -134.94 57.39 21.15 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.585 0.707 . . . . 0.0 110.884 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.85 80.13 0.93 Allowed 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.676 2.251 . . . . 0.0 112.263 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 8.2 mmtp -87.82 -47.3 8.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.952 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -99.51 149.23 23.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 9.8 ptt-85 -47.49 -25.79 1.2 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.87 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.451 ' O ' ' N ' ' A' ' 79' ' ' ILE . 4.5 m -80.6 -48.66 12.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.89 -179.784 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . 0.433 ' C ' ' O ' ' A' ' 76' ' ' SER . 10.5 mm100 -35.53 -55.03 0.68 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.919 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 17.1 mtt -50.6 -43.74 56.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.875 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.451 ' N ' ' O ' ' A' ' 76' ' ' SER . 48.4 mm -41.58 -64.2 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.155 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . 0.428 ' O ' ' C ' ' A' ' 81' ' ' ASN . 8.4 mp0 -42.3 -61.02 1.28 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.474 ' CB ' ' O ' ' A' ' 49' ' ' ASP . 54.4 m-20 -35.83 -64.4 0.31 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.883 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 22.7 mt -58.83 -40.71 80.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.116 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -52.62 -55.25 23.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.854 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -47.55 -42.34 23.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.076 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 60.9 m -63.39 -49.06 75.27 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.907 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 61.6 mt -55.12 -48.49 73.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.941 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 66.9 m-80 -69.15 -42.16 76.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.42 ' CD1' ' C ' ' A' ' 88' ' ' PHE . 1.9 t80 -58.62 -48.07 82.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.466 HD21 ' CD1' ' A' ' 94' ' ' ILE . 95.9 mt -59.16 -49.55 77.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.933 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -47.31 -41.99 20.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.124 179.801 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -63.75 -36.25 83.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.126 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 52.8 mmtt -69.81 -28.5 65.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 123.15 39.67 0.51 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.509 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.466 ' CD1' HD21 ' A' ' 89' ' ' LEU . 73.8 mt . . . . . 0 C--N 1.329 -0.295 0 CA-C-O 120.796 0.332 . . . . 0.0 111.153 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 90.4 mt -62.87 176.84 0.63 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.783 0.325 . . . . 0.0 110.918 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 16.7 m -150.73 106.57 3.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.843 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -46.12 -43.05 14.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.131 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -60.07 -55.35 35.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.877 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -50.77 -40.83 55.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.873 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 82.6 mt -65.89 -41.08 89.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.164 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 12.2 ttt-85 -62.09 -36.35 81.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.91 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 80.9 m-20 -70.74 -26.49 63.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.922 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 97.25 34.13 5.72 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.441 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . 0.435 ' O ' ' CD1' ' A' ' 112' ' ' ILE . 53.3 t30 -78.6 108.33 11.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.866 0.365 . . . . 0.0 110.89 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.469 ' HG ' ' CD1' ' A' ' 113' ' ' LEU . 9.4 tp -40.8 -52.69 2.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.935 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 14.5 mmtm -47.39 -42.24 21.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.879 179.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -70.47 -61.73 1.66 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.113 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.439 ' CG2' ' HG ' ' A' ' 43' ' ' LEU . 5.3 mp -48.58 -63.65 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.175 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.469 ' CD1' ' HG ' ' A' ' 109' ' ' LEU . 67.9 mt -41.19 -41.5 1.83 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.943 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -63.05 -52.01 51.02 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.492 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.621 ' CD2' ' CD2' ' A' ' 116' ' ' PHE . 0.1 OUTLIER -50.78 -51.88 46.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.913 0.387 . . . . 0.0 110.921 -179.953 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . 0.621 ' CD2' ' CD2' ' A' ' 115' ' ' LEU . 9.2 m-85 -73.15 -32.34 64.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.918 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . 0.482 ' CD1' ' C ' ' A' ' 117' ' ' PHE . 3.3 t80 -61.26 -33.76 74.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.888 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 25.5 m -94.64 -50.89 4.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.796 -179.731 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 13.5 tp -41.35 -58.32 1.89 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.943 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 43.6 t -40.41 -48.28 2.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.846 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 55.5 mtp180 -40.87 -46.62 2.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.853 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' TYR . . . . . 0.461 ' HB2' ' CG1' ' A' ' 94' ' ' ILE . 23.4 t80 -43.62 -48.74 7.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.904 -179.85 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . 0.434 ' O ' ' C ' ' A' ' 124' ' ' GLN . 14.1 tptp -83.82 -53.03 5.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.893 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' GLN . . . . . 0.434 ' C ' ' O ' ' A' ' 123' ' ' LYS . 18.5 mm100 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.909 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.435 ' O ' ' C ' ' A' ' 16' ' ' LEU . . . . . . . . 0 N--CA 1.452 -0.285 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.435 ' C ' ' O ' ' A' ' 15' ' ' GLY . 55.3 mt -35.57 -56.81 0.65 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.788 0.328 . . . . 0.0 110.899 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -55.36 -45.15 76.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -58.14 -36.92 73.67 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.866 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 62.8 mt-30 -59.93 -46.0 90.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.92 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 42.6 tttt -42.55 -45.35 4.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.923 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 24.7 ttp180 -66.33 -54.42 24.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.893 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 95.2 mt -39.05 -52.91 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.097 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.432 ' CD1' ' HB3' ' A' ' 116' ' ' PHE . 38.4 m-85 -64.06 -49.34 72.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.912 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 98.5 m -43.31 -60.86 1.53 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.118 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.406 ' OD1' ' C ' ' A' ' 25' ' ' ASP . 20.2 t0 -52.9 -45.84 67.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.823 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 68.1 t90 -53.17 -51.36 62.3 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.874 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -64.02 -45.21 89.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.062 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.475 ' OD1' ' CD2' ' A' ' 39' ' ' LEU . 2.1 m-80 -42.92 -54.26 4.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.866 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.405 ' CE1' ' HD3' ' A' ' 33' ' ' LYS . 0.1 OUTLIER -41.58 -52.08 3.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.832 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.531 ' CE2' ' CG2' ' A' ' 60' ' ' VAL . 97.5 m-85 -57.81 -32.58 67.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 -179.829 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.418 ' N ' ' O ' ' A' ' 28' ' ' ASN . 18.0 mt -75.77 -54.16 7.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.956 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.19 -37.73 78.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.089 179.781 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.405 ' HD3' ' CE1' ' A' ' 29' ' ' HIS . 27.6 pttt -71.05 -31.26 67.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.907 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 4.6 t -85.85 -2.13 57.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.892 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 83.78 69.11 1.39 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.502 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.407 ' CG ' HD22 ' A' ' 31' ' ' LEU . 4.1 m-70 -128.13 137.91 52.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.874 0.368 . . . . 0.0 110.824 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 27.1 mtpp -93.99 -26.75 16.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 15.0 ttm180 -94.35 117.25 29.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.833 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.475 ' CD2' ' OD1' ' A' ' 28' ' ' ASN . 62.0 mt -93.39 176.51 6.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.891 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 83.7 mt -92.77 95.46 5.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.122 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 76.4 mtm180 -69.29 -61.97 1.57 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.869 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.463 ' O ' ' N ' ' A' ' 45' ' ' GLN . 0.5 OUTLIER -114.99 99.74 7.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.844 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.563 HD12 ' CE2' ' A' ' 116' ' ' PHE . 15.8 tp -33.75 -59.44 0.4 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.925 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.473 ' NE2' ' O ' ' A' ' 107' ' ' GLY . 58.2 mt-30 -48.01 -44.35 30.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.923 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.463 ' N ' ' O ' ' A' ' 42' ' ' ASP . 11.9 mm100 -77.52 -20.43 54.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.939 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -81.65 -6.17 58.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.823 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 26.0 m -124.33 -22.26 2.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.135 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.464 ' CG2' ' O ' ' A' ' 44' ' ' GLN . 15.0 p -48.34 -44.86 34.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.146 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -81.6 -29.97 33.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.898 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 87.36 -27.82 6.07 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.487 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 60.1 t -56.55 -65.63 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.845 0.355 . . . . 0.0 111.145 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.5 tt -57.63 -35.8 70.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.92 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.2 tp -56.82 -53.74 54.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.91 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -58.89 -43.01 90.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.133 179.776 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 16.6 mt-30 -40.15 -37.15 0.58 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.891 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 3.2 mp -80.09 -52.98 13.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.183 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.619 ' CG2' ' CE1' ' A' ' 88' ' ' PHE . 55.8 mt -47.71 -49.0 10.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.109 179.813 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -56.56 -38.24 71.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.905 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 58.0 t -73.34 -67.26 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.122 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.531 ' CG2' ' CE2' ' A' ' 30' ' ' TYR . 14.7 p -52.09 -30.37 12.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.102 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.413 ' CB ' ' O ' ' A' ' 57' ' ' ILE . . . -92.97 -16.64 24.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.085 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 59.4 m-20 61.41 39.53 15.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.881 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -141.85 164.36 30.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.927 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 6.6 ptmt -112.98 137.99 50.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.872 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.446 ' HB ' ' CG1' ' A' ' 68' ' ' ILE . 12.8 mt -107.36 108.93 26.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.131 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -74.33 -16.52 60.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.894 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -87.0 34.75 0.68 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.867 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.446 ' CG1' ' HB ' ' A' ' 65' ' ' ILE . 31.1 mm -115.92 146.66 20.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.095 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.447 ' O ' ' C ' ' A' ' 70' ' ' GLY . 19.5 t30 -107.26 107.08 17.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.915 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . 0.447 ' C ' ' O ' ' A' ' 69' ' ' ASN . . . -34.26 -58.39 0.67 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.484 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 43.3 t -139.72 118.19 8.72 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.589 0.709 . . . . 0.0 110.876 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 127.46 14.63 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.667 2.245 . . . . 0.0 112.312 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 35.9 mttt -103.66 -35.26 8.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -102.22 155.97 17.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.849 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.412 ' C ' ' HD3' ' A' ' 75' ' ' ARG . 0.2 OUTLIER -58.97 -28.19 66.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.873 -179.949 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.497 ' O ' ' N ' ' A' ' 78' ' ' MET . 4.0 m -88.75 -40.92 12.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.818 -179.754 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 11.9 mm-40 -37.77 -27.75 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.907 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' MET . . . . . 0.497 ' N ' ' O ' ' A' ' 76' ' ' SER . 9.5 mtt -70.04 -46.62 64.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.857 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.461 ' N ' ' O ' ' A' ' 76' ' ' SER . 26.0 mm -41.33 -53.71 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.132 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -49.46 -45.5 46.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.871 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -50.09 -65.88 0.49 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.919 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 33.4 mt -57.42 -43.81 83.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.105 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -51.58 -55.69 17.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.862 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -48.71 -44.74 38.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.105 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . 0.442 ' HB3' ' CD1' ' A' ' 57' ' ' ILE . 60.2 m -61.06 -49.11 78.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.876 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 41.9 mt -56.01 -49.69 72.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.92 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 69.2 m-80 -67.35 -36.35 81.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.923 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.619 ' CE1' ' CG2' ' A' ' 57' ' ' ILE . 0.4 OUTLIER -64.01 -39.21 93.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 88.2 mt -67.29 -43.84 80.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.948 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -57.04 -38.7 73.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.12 179.773 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -65.77 -32.48 74.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.11 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 61.5 mmtt -73.09 -23.43 60.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 117.1 39.24 0.82 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.506 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.463 ' CD1' ' HB2' ' A' ' 122' ' ' TYR . 71.3 mt . . . . . 0 C--N 1.328 -0.333 0 CA-C-O 120.858 0.361 . . . . 0.0 111.165 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 72.4 mt -68.49 172.04 6.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.811 0.338 . . . . 0.0 110.908 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 5.9 m -149.87 111.13 4.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -46.5 -40.18 12.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.106 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -63.14 -53.91 46.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.856 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 53.9 mm-40 -50.7 -43.82 57.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 66.0 mt -60.36 -44.84 96.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.112 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . 0.415 ' NH1' HD11 ' A' ' 79' ' ' ILE . 0.8 OUTLIER -53.51 -42.12 67.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.882 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 16.1 m-80 -64.48 -29.09 70.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.866 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . 0.473 ' O ' ' NE2' ' A' ' 44' ' ' GLN . . . 99.13 26.13 9.06 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.524 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . 0.425 ' O ' ' C ' ' A' ' 109' ' ' LEU . 14.2 t30 -70.33 99.48 1.56 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.853 0.359 . . . . 0.0 110.882 -179.876 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.452 ' HG ' ' CD1' ' A' ' 113' ' ' LEU . 9.4 tp -36.02 -60.36 0.55 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.895 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 12.8 mmtm -39.85 -46.92 2.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 179.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -64.63 -63.56 1.09 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.08 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.417 ' O ' ' C ' ' A' ' 113' ' ' LEU . 5.4 mp -48.41 -65.33 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.132 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.452 ' CD1' ' HG ' ' A' ' 109' ' ' LEU . 96.5 mt -35.78 -39.77 0.16 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -61.43 -51.53 57.28 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.485 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.566 ' CD2' ' CD2' ' A' ' 116' ' ' PHE . 0.2 OUTLIER -50.77 -59.71 3.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.852 0.358 . . . . 0.0 110.927 -179.91 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . 0.566 ' CD2' ' CD2' ' A' ' 115' ' ' LEU . 11.0 m-85 -63.72 -32.78 74.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.886 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 21.8 t80 -57.66 -36.91 72.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.885 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 4.0 m -92.54 -52.0 4.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.864 -179.785 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 6.7 tp -41.71 -50.8 4.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.934 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 34.6 p -49.37 -44.08 44.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.863 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 66.3 mtp180 -48.38 -52.09 23.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.9 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' TYR . . . . . 0.463 ' HB2' ' CD1' ' A' ' 94' ' ' ILE . 25.8 t80 -40.2 -55.42 2.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.953 -179.867 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . 0.407 ' O ' ' C ' ' A' ' 124' ' ' GLN . 23.8 tptt -70.3 -49.04 53.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.9 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' GLN . . . . . 0.407 ' C ' ' O ' ' A' ' 123' ' ' LYS . 74.2 mt-30 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.905 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.472 ' N ' ' HB2' ' A' ' 18' ' ' ASP . . . . . . . . 0 N--CA 1.451 -0.342 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.414 HD23 ' CD1' ' A' ' 113' ' ' LEU . 17.4 mt -42.27 -51.32 4.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.762 0.315 . . . . 0.0 110.922 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -65.94 -40.7 91.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.918 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.472 ' HB2' ' N ' ' A' ' 15' ' ' GLY . 24.0 m-20 -60.22 -39.1 85.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.876 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 -58.7 -40.84 84.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.895 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.465 ' CE ' ' HA ' ' A' ' 42' ' ' ASP . 47.2 tttt -48.87 -33.43 10.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.906 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.464 ' HB2' ' CZ ' ' A' ' 21' ' ' ARG . 0.4 OUTLIER -75.63 -47.56 25.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.854 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 94.1 mt -48.4 -51.04 11.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.119 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.563 ' CD1' ' HB3' ' A' ' 116' ' ' PHE . 34.6 m-85 -68.34 -47.52 67.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.948 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.468 ' O ' ' ND2' ' A' ' 28' ' ' ASN . 26.3 m -43.77 -51.57 7.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.104 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -66.74 -39.56 87.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.895 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 66.0 t90 -53.82 -49.53 68.17 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -69.35 -39.19 78.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.114 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.486 ' OD1' ' CD2' ' A' ' 39' ' ' LEU . 1.8 m-80 -48.85 -33.22 10.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.903 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 17.2 t60 -63.75 -45.06 91.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.845 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.415 ' HA ' ' CD ' ' A' ' 33' ' ' LYS . 92.8 m-85 -69.5 -16.1 63.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.931 -179.882 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 34.5 mt -89.81 -51.36 5.54 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.901 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.73 -23.55 67.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.143 179.735 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.415 ' CD ' ' HA ' ' A' ' 30' ' ' TYR . 9.9 ptmm? -78.44 -35.92 46.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.864 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.7 m -82.9 2.07 36.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.865 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 80.94 66.21 1.64 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.493 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 4.6 m-70 -119.37 141.22 49.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.869 0.366 . . . . 0.0 110.852 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 43.3 mttm -95.24 -25.19 16.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.869 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.419 ' HB3' ' NH1' ' A' ' 38' ' ' ARG . 17.2 ttm105 -95.78 140.94 29.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.866 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.486 ' CD2' ' OD1' ' A' ' 28' ' ' ASN . 28.4 mt -115.23 -179.84 3.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.943 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 62.2 mt -99.34 115.14 39.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.159 179.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 8.3 mmp_? -95.3 -56.42 2.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.858 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.495 ' N ' ' OD2' ' A' ' 46' ' ' ASP . 0.5 OUTLIER -111.65 98.87 7.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.857 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.468 ' HG ' ' CG2' ' A' ' 112' ' ' ILE . 13.0 tp -51.76 -27.28 11.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 44.2 mt-30 -74.45 -40.46 61.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.934 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 17.9 mt-30 -100.86 7.32 43.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.942 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.495 ' OD2' ' N ' ' A' ' 42' ' ' ASP . 2.1 m-20 -97.54 -3.4 39.82 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 35.1 m -130.43 0.73 2.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.15 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.1 p -58.32 -40.82 83.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.106 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.454 ' OD2' ' CG ' ' A' ' 72' ' ' PRO . 15.6 t0 -85.09 -29.1 25.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.885 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 86.62 -11.0 65.2 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.499 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 54.5 t -69.14 -67.54 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.857 0.361 . . . . 0.0 111.148 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.7 tt -55.99 -29.03 59.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.954 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.1 tp -64.79 -61.99 1.85 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.931 179.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -50.16 -38.1 37.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.077 179.786 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 10.5 mt-30 -43.17 -36.03 1.58 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.884 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 4.5 mp -81.76 -53.53 11.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.123 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 30.6 mt -46.87 -58.4 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.092 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.405 ' CB ' ' O ' ' A' ' 63' ' ' GLU . 33.0 mt-30 -48.08 -24.87 1.22 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.898 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 42.1 t -85.9 -65.0 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.152 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 6.8 p -54.95 -19.36 4.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.125 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -111.43 -3.82 15.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.08 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 45.4 t30 47.6 44.89 17.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.882 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.405 ' O ' ' CB ' ' A' ' 58' ' ' GLN . 5.0 tp10 -140.53 168.58 19.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.876 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 9.4 ttmm -118.65 139.34 51.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.906 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.459 ' CG2' HG12 ' A' ' 68' ' ' ILE . 32.9 mt -102.8 96.44 4.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.103 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -70.33 -7.25 41.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.87 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -95.21 30.33 2.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.875 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.459 HG12 ' CG2' ' A' ' 65' ' ' ILE . 30.8 mm -111.73 136.18 48.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.155 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 41.6 t30 -73.25 -72.74 0.24 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 121.48 -50.93 0.81 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.499 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 17.8 m -132.32 78.59 67.88 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.601 0.715 . . . . 0.0 110.859 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.454 ' CG ' ' OD2' ' A' ' 49' ' ' ASP . 54.2 Cg_endo -69.76 132.31 23.07 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.653 2.236 . . . . 0.0 112.367 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.409 ' HD3' ' C ' ' A' ' 73' ' ' LYS . 0.0 OUTLIER -121.62 -35.58 3.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.877 179.933 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -78.98 167.07 21.63 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.891 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 13.4 tpp180 -68.27 -45.73 72.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.893 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.403 ' O ' ' N ' ' A' ' 79' ' ' ILE . 5.6 m -79.6 -33.3 41.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.897 -179.84 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 26.7 mm-40 -38.01 -46.47 1.0 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.945 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 12.6 mtt -59.82 -45.3 92.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.869 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.403 ' N ' ' O ' ' A' ' 76' ' ' SER . 37.2 mm -42.52 -55.65 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.113 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 33.4 mm-40 -49.96 -55.86 12.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -38.29 -67.05 0.22 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.898 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 20.4 mt -57.17 -37.68 57.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.115 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -54.95 -49.94 70.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.861 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -52.09 -39.11 59.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.064 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 59.3 m -67.5 -45.24 76.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.86 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 56.4 mt -60.5 -48.13 83.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.927 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 70.2 m-80 -65.91 -34.49 78.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.854 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.445 ' CZ ' ' HE2' ' A' ' 92' ' ' LYS . 3.2 t80 -65.97 -51.7 56.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.875 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 93.6 mt -53.61 -38.49 64.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.907 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -61.92 -35.15 77.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.133 179.764 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -68.68 -32.5 72.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.101 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . 0.445 ' HE2' ' CZ ' ' A' ' 88' ' ' PHE . 42.5 mmtt -70.51 -24.28 62.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.878 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 117.9 37.05 0.91 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.504 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.462 ' CD1' ' HB2' ' A' ' 122' ' ' TYR . 66.1 mt . . . . . 0 C--N 1.329 -0.292 0 CA-C-O 120.786 0.327 . . . . 0.0 111.17 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 26.8 mt -63.89 179.26 0.53 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.859 0.362 . . . . 0.0 110.93 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 10.5 m -158.22 108.47 2.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -43.56 -42.83 5.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.111 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -57.82 -51.29 70.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.94 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -55.92 -48.22 76.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.89 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 47.5 mt -58.84 -43.83 89.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.142 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 5.8 ttt-85 -61.66 -30.07 70.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.874 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -72.98 -26.96 61.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.901 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 97.16 31.34 6.94 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.495 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 51.4 t-20 -81.6 114.64 20.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.869 0.366 . . . . 0.0 110.884 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.467 ' HG ' ' CD1' ' A' ' 113' ' ' LEU . 8.9 tp -50.83 -39.8 54.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.937 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 15.9 mmtm -59.1 -26.12 64.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.866 179.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -86.83 -60.63 1.93 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.066 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.468 ' CG2' ' HG ' ' A' ' 43' ' ' LEU . 4.5 mp -50.89 -55.13 7.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.122 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.467 ' CD1' ' HG ' ' A' ' 109' ' ' LEU . 71.8 mt -47.55 -42.38 23.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.947 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -60.6 -41.5 98.85 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.484 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.586 ' CD2' ' CD2' ' A' ' 116' ' ' PHE . 0.1 OUTLIER -62.43 -57.17 12.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.863 0.363 . . . . 0.0 110.902 -179.947 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . 0.586 ' CD2' ' CD2' ' A' ' 115' ' ' LEU . 10.9 m-85 -66.3 -17.28 64.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.869 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . 0.482 ' CD1' ' C ' ' A' ' 117' ' ' PHE . 3.6 t80 -75.82 -36.96 59.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.877 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 16.4 m -92.76 -39.48 11.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.829 -179.777 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 2.0 tp -54.03 -55.28 28.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.919 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.4 t -46.49 -44.48 17.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.856 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 33.5 mtp85 -46.85 -51.07 17.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.905 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' TYR . . . . . 0.462 ' HB2' ' CD1' ' A' ' 94' ' ' ILE . 12.3 t80 -39.54 -54.55 1.96 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 -179.828 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . 0.44 ' O ' ' C ' ' A' ' 124' ' ' GLN . 13.5 tptp -75.49 -54.59 6.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.874 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' GLN . . . . . 0.44 ' C ' ' O ' ' A' ' 123' ' ' LYS . 51.1 mm-40 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.941 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.421 ' O ' ' C ' ' A' ' 16' ' ' LEU . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.421 ' C ' ' O ' ' A' ' 15' ' ' GLY . 23.5 mt -35.98 -59.29 0.61 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.768 0.318 . . . . 0.0 110.908 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.0 pm0 -61.1 -38.71 87.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.922 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.407 ' N ' ' O ' ' A' ' 15' ' ' GLY . 70.0 m-20 -65.8 -25.57 67.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.85 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 22.6 mt-30 -69.31 -40.57 77.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.912 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.441 ' NZ ' ' OE1' ' A' ' 44' ' ' GLN . 17.0 ttmt -46.39 -56.35 6.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.917 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 13.6 ttm180 -54.87 -52.71 61.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.845 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 74.1 mt -44.86 -48.47 2.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.125 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.517 ' CG ' ' HB3' ' A' ' 116' ' ' PHE . 25.3 m-85 -68.88 -45.47 70.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.923 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.455 ' CG2' ' O ' ' A' ' 40' ' ' ILE . 66.8 m -46.65 -56.53 5.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.137 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -59.03 -38.52 79.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.877 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 72.9 t90 -58.05 -53.15 61.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.902 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.53 -37.62 83.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.139 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.433 ' ND2' ' O ' ' A' ' 24' ' ' THR . 1.0 OUTLIER -46.71 -41.08 14.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 -179.954 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.409 ' CE1' ' HB3' ' A' ' 33' ' ' LYS . 0.4 OUTLIER -57.18 -64.53 0.85 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.828 179.965 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 95.0 m-85 -45.31 -33.42 2.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.95 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 15.8 mt -72.48 -47.51 48.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.943 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -65.8 -53.44 40.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.072 179.803 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.409 ' HB3' ' CE1' ' A' ' 29' ' ' HIS . 10.1 pttp -52.47 -33.47 44.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.431 ' O ' ' C ' ' A' ' 35' ' ' GLY . 4.5 t -92.83 31.68 1.36 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.864 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.431 ' C ' ' O ' ' A' ' 34' ' ' SER . . . 35.6 60.45 0.78 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.496 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.549 ' CD2' ' HB3' ' A' ' 38' ' ' ARG . 20.3 t60 -90.42 -18.22 25.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.851 0.358 . . . . 0.0 110.85 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 33.0 mmtt 54.64 39.42 31.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.549 ' HB3' ' CD2' ' A' ' 36' ' ' HIS . 11.0 ttt85 -170.03 153.85 4.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.898 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 61.9 mt -130.8 170.06 14.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.899 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.455 ' O ' ' CG2' ' A' ' 24' ' ' THR . 66.6 mt -95.61 109.55 22.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.157 179.864 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 7.4 ttm180 -77.72 -61.08 2.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.878 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.429 ' OD1' ' N ' ' A' ' 42' ' ' ASP . 0.3 OUTLIER -114.88 113.5 24.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.91 179.935 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.549 HD13 ' CE2' ' A' ' 116' ' ' PHE . 11.1 tp -60.14 -36.93 78.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.441 ' OE1' ' NZ ' ' A' ' 20' ' ' LYS . 64.1 mt-30 -70.58 -15.62 62.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.918 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.429 ' HA ' ' CG2' ' A' ' 48' ' ' THR . 4.2 mm100 -116.18 -6.21 11.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.427 ' N ' ' O ' ' A' ' 42' ' ' ASP . 0.4 OUTLIER -84.37 -34.82 23.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.828 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 26.6 m -103.47 33.33 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.125 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.429 ' CG2' ' HA ' ' A' ' 45' ' ' GLN . 18.0 p -86.03 -35.09 20.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.143 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -104.22 -14.56 15.79 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.853 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 79.53 -14.38 17.78 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.513 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 98.2 t -61.44 -70.37 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.865 0.364 . . . . 0.0 111.074 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 2.4 tt -54.88 -36.41 65.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.1 tp -55.79 -55.84 27.66 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.89 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.416 ' O ' ' C ' ' A' ' 55' ' ' GLN . . . -54.68 -47.26 73.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.075 179.829 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.488 HE22 ' CE1' ' A' ' 36' ' ' HIS . 27.0 mt-30 -36.38 -37.77 0.13 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.973 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 3.3 mp -80.52 -56.98 5.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.133 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 41.4 mt -43.34 -55.41 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.125 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -52.3 -30.95 30.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.912 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.406 ' CG1' ' HE3' ' A' ' 33' ' ' LYS . 71.6 t -81.48 -63.41 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.13 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 7.4 p -55.23 -22.22 10.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.117 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -107.76 -6.06 17.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.074 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 57.7 t30 52.59 31.76 10.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.943 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -125.2 168.43 13.46 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.859 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.448 ' CE ' ' O ' ' A' ' 65' ' ' ILE . 0.0 OUTLIER -123.33 136.13 54.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.845 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.448 ' O ' ' CE ' ' A' ' 64' ' ' LYS . 6.4 mt -104.91 118.54 52.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.147 179.844 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -91.67 -14.49 29.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.92 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -85.0 23.52 1.21 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.846 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 48.2 mm -100.66 121.94 52.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.084 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -49.79 -45.81 50.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.845 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 98.3 -65.86 0.77 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.483 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 5.8 m -126.67 72.32 74.15 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.629 0.728 . . . . 0.0 110.886 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 133.67 26.18 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.701 2.267 . . . . 0.0 112.356 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.42 ' C ' ' HD3' ' A' ' 73' ' ' LYS . 0.0 OUTLIER -129.1 -36.36 1.76 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.902 179.921 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.418 ' CB ' ' HG3' ' A' ' 77' ' ' GLN . 28.8 t30 -66.1 178.78 1.06 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.895 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 8.9 tpp180 -72.5 -47.01 52.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 52.3 p -85.99 -31.06 22.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.862 -179.814 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . 0.418 ' HG3' ' CB ' ' A' ' 74' ' ' ASN . 11.4 mt-30 -43.67 -37.0 2.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.911 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' MET . . . . . 0.445 ' SD ' ' NH1' ' A' ' 105' ' ' ARG . 17.4 mtt -75.04 -38.99 61.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.878 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.471 ' CD1' ' HA ' ' A' ' 102' ' ' GLU . 3.7 mm -55.15 -48.93 75.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.135 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -48.49 -40.94 28.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.891 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -50.24 -69.47 0.11 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.848 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 4.8 mp -50.15 -42.37 19.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.151 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -53.88 -50.55 66.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.842 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -55.6 -42.37 74.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.061 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 26.7 m -65.9 -36.77 84.32 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.831 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 92.8 mt -65.67 -43.8 88.22 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.971 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 69.2 m-80 -71.69 -36.67 70.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.917 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.477 ' CD1' ' C ' ' A' ' 88' ' ' PHE . 1.3 t80 -64.27 -42.1 96.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.858 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 29.0 mt -66.94 -42.16 85.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.95 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -56.93 -27.15 60.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.08 179.805 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -76.0 -30.63 58.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.109 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . 0.465 ' HB3' ' CE2' ' A' ' 122' ' ' TYR . 69.0 mmtt -76.43 -11.79 59.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.913 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 106.62 31.21 4.04 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.452 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.459 ' CG1' ' HB2' ' A' ' 122' ' ' TYR . 94.4 mt . . . . . 0 C--N 1.329 -0.321 0 CA-C-O 120.861 0.362 . . . . 0.0 111.102 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 56.1 mt -69.3 136.84 52.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.805 0.336 . . . . 0.0 110.962 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' SER . . . . . 0.443 ' CB ' ' HG3' ' A' ' 103' ' ' GLU . 1.1 m -120.74 118.25 29.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.859 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -48.33 -44.95 34.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.081 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.471 ' HA ' ' CD1' ' A' ' 79' ' ' ILE . 12.9 tt0 -58.12 -43.17 87.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.914 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.443 ' HG3' ' CB ' ' A' ' 100' ' ' SER . 12.2 mt-10 -70.44 -37.27 74.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.89 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 18.9 mt -68.5 -42.58 83.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.126 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . 0.445 ' NH1' ' SD ' ' A' ' 78' ' ' MET . 1.0 OUTLIER -61.05 -39.29 89.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.86 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 25.0 m-20 -68.19 -28.48 67.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . 0.418 ' C ' HD11 ' A' ' 112' ' ' ILE . . . 106.85 23.53 7.07 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.537 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . 0.464 ' O ' ' CD1' ' A' ' 112' ' ' ILE . 0.1 OUTLIER -63.93 99.19 0.24 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.864 0.364 . . . . 0.0 110.859 -179.819 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 17.4 tp -39.16 -52.28 1.91 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.883 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . 0.413 ' HB2' ' ND2' ' A' ' 108' ' ' ASN . 19.1 mmtp -47.72 -44.41 27.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.902 179.84 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -69.26 -62.74 1.26 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.107 179.813 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.464 ' CD1' ' O ' ' A' ' 108' ' ' ASN . 5.2 mp -43.92 -64.11 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.117 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.412 HD22 ' N ' ' A' ' 20' ' ' LYS . 66.0 mt -41.96 -38.23 1.54 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.895 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -62.2 -37.54 94.69 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.522 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.614 ' CD2' ' CD2' ' A' ' 116' ' ' PHE . 0.2 OUTLIER -66.03 -62.85 1.27 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.891 0.376 . . . . 0.0 110.945 -179.957 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . 0.614 ' CD2' ' CD2' ' A' ' 115' ' ' LEU . 18.0 m-85 -62.36 -15.54 49.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -76.59 -41.84 44.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.847 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 49.1 m -88.46 -41.55 12.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.834 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 2.1 tp -48.64 -58.01 5.37 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.95 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 2.0 m -45.62 -43.63 12.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.819 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 63.0 mtp85 -48.42 -52.5 21.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.838 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' TYR . . . . . 0.465 ' CE2' ' HB3' ' A' ' 92' ' ' LYS . 3.9 t80 -41.99 -52.94 4.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.913 -179.842 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . 0.432 ' O ' ' C ' ' A' ' 124' ' ' GLN . 15.2 tptp -70.19 -53.53 16.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.883 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' GLN . . . . . 0.432 ' C ' ' O ' ' A' ' 123' ' ' LYS . 55.7 mm-40 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.879 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.493 ' O ' ' N ' ' A' ' 18' ' ' ASP . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.455 -0.258 . . . . 0.0 112.455 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.41 ' C ' ' O ' ' A' ' 15' ' ' GLY . 61.3 mt -37.4 -48.17 0.92 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.78 0.324 . . . . 0.0 110.902 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 59.1 mm-40 -65.83 -37.26 85.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.493 ' N ' ' O ' ' A' ' 15' ' ' GLY . 1.3 m-20 -62.12 -38.4 88.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.906 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.449 ' O ' ' C ' ' A' ' 20' ' ' LYS . 75.5 mt-30 -59.08 -51.8 68.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.923 -179.889 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.449 ' C ' ' O ' ' A' ' 19' ' ' GLN . 42.6 tttt -34.13 -49.83 0.37 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.904 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.424 ' O ' ' C ' ' A' ' 22' ' ' ILE . 31.3 ttt180 -57.69 -61.64 2.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.888 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.424 ' C ' ' O ' ' A' ' 21' ' ' ARG . 82.2 mt -36.03 -44.03 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.144 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 27.3 m-85 -75.63 -49.87 17.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.94 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.441 ' O ' ' ND2' ' A' ' 28' ' ' ASN . 98.5 m -40.8 -45.6 2.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.093 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -68.52 -38.09 80.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.869 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . 0.46 ' CZ2' ' HA ' ' A' ' 120' ' ' SER . 33.0 t90 -55.35 -57.95 9.75 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.444 ' O ' ' C ' ' A' ' 28' ' ' ASN . . . -60.93 -54.88 39.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.112 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.444 ' C ' ' O ' ' A' ' 27' ' ' ALA . 1.8 m-80 -34.33 -51.48 0.45 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 9.5 t60 -48.03 -52.01 21.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.868 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 77.6 m-85 -60.97 -39.84 91.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.932 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.455 ' O ' ' CB ' ' A' ' 36' ' ' HIS . 11.7 mt -66.09 -29.29 69.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.892 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -80.4 -51.9 8.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.058 179.818 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.0 ptmm? -56.98 -34.74 68.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 7.5 t -84.36 27.92 0.67 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.815 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 40.71 70.73 0.36 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.476 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.455 ' CB ' ' O ' ' A' ' 31' ' ' LEU . 7.8 t-80 -116.66 137.8 51.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.845 0.355 . . . . 0.0 110.862 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 10.5 ptpt -94.5 46.21 1.14 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.918 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 45.3 ttm-85 -173.6 140.29 0.78 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.843 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 82.0 mt -117.21 -174.88 2.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.917 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 86.0 mt -103.09 108.47 24.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.133 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 14.5 mmt180 -83.52 -62.98 1.44 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.919 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.495 ' N ' ' OD1' ' A' ' 46' ' ' ASP . 70.8 m-20 -112.93 98.18 7.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.867 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.517 HD11 ' CE2' ' A' ' 116' ' ' PHE . 13.3 tp -45.72 -36.31 4.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.927 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.46 ' CG ' HD13 ' A' ' 109' ' ' LEU . 27.8 mt-30 -68.85 -44.53 73.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.912 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 92.1 mt-30 -96.13 12.94 28.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.924 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.495 ' OD1' ' N ' ' A' ' 42' ' ' ASP . 0.7 OUTLIER -102.55 -33.4 9.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.902 179.938 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 34.5 m -106.76 38.42 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.165 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 23.4 p -92.8 -35.55 13.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.118 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.497 ' O ' ' CB ' ' A' ' 81' ' ' ASN . 7.0 m-20 -93.42 -18.74 22.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.855 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 84.9 -28.9 4.34 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.503 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 86.0 t -52.66 -65.8 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.846 0.355 . . . . 0.0 111.117 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 2.0 tt -53.8 -39.82 65.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.906 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 5.4 tp -54.86 -55.52 29.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -54.14 -44.0 71.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.108 179.79 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 23.1 mt-30 -40.3 -32.98 0.21 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.966 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 5.2 mp -88.06 -51.36 12.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.122 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 70.9 mt -50.25 -55.6 5.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.125 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 39.9 mt-30 -49.99 -28.4 6.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 72.2 t -81.41 -69.1 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.108 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.435 HG12 ' N ' ' A' ' 61' ' ' ALA . 7.5 p -50.07 -29.26 5.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.115 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.435 ' N ' HG12 ' A' ' 60' ' ' VAL . . . -91.9 -26.73 18.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.13 179.825 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 10.6 m-80 71.87 39.2 0.86 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.904 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -145.51 162.91 36.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.901 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 6.7 tttp -111.14 136.53 50.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.935 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.434 ' HB ' ' CG1' ' A' ' 68' ' ' ILE . 13.6 mt -96.27 113.65 31.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.111 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -76.3 -24.74 54.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.455 ' CB ' ' HB1' ' A' ' 84' ' ' ALA . 0.7 OUTLIER -82.55 44.04 0.86 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.848 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.434 ' CG1' ' HB ' ' A' ' 65' ' ' ILE . 31.3 mm -118.62 112.66 38.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.136 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.44 ' OD1' ' C ' ' A' ' 69' ' ' ASN . 13.1 t-20 -69.05 -59.67 2.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.922 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 76.79 127.34 0.29 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.474 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . 0.435 ' N ' ' CD ' ' A' ' 72' ' ' PRO . 56.1 m 66.75 55.02 0.84 Allowed Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.607 0.718 . . . . 0.0 110.899 -179.837 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.469 ' CG ' ' HG3' ' A' ' 78' ' ' MET . 53.1 Cg_endo -69.8 147.65 63.07 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.687 2.258 . . . . 0.0 112.344 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 58.4 mttt -116.98 -44.16 2.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.937 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.428 ' O ' ' N ' ' A' ' 77' ' ' GLN . 20.8 t-20 -83.98 133.31 34.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.923 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.473 ' HG2' ' CZ ' ' A' ' 105' ' ' ARG . 0.9 OUTLIER -38.77 -32.19 0.08 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.86 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.405 ' O ' ' N ' ' A' ' 79' ' ' ILE . 3.4 m -81.71 -42.86 19.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.814 -179.736 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . 0.428 ' N ' ' O ' ' A' ' 74' ' ' ASN . 7.1 mt-30 -41.77 -27.44 0.11 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.895 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' MET . . . . . 0.469 ' HG3' ' CG ' ' A' ' 72' ' ' PRO . 1.5 mpt? -75.07 -44.52 47.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.405 ' N ' ' O ' ' A' ' 76' ' ' SER . 40.3 mm -41.33 -56.02 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.12 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . 0.408 ' O ' ' C ' ' A' ' 81' ' ' ASN . 27.2 mt-10 -44.66 -60.17 2.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.93 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.497 ' CB ' ' O ' ' A' ' 49' ' ' ASP . 2.7 m-20 -37.46 -66.91 0.21 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.9 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 37.2 mt -55.82 -40.32 60.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.147 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -53.87 -52.41 60.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.853 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.455 ' HB1' ' CB ' ' A' ' 67' ' ' ASP . . . -49.66 -42.17 44.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.092 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 59.8 m -64.42 -47.85 77.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 54.0 mt -57.13 -48.57 78.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.903 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 68.6 m-80 -69.2 -41.96 76.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.555 ' CZ ' ' HE2' ' A' ' 92' ' ' LYS . 20.7 t80 -61.49 -39.51 91.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.855 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 72.9 mt -68.45 -49.06 62.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.927 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -44.43 -53.57 6.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.115 179.745 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -50.12 -32.75 16.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.112 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . 0.555 ' HE2' ' CZ ' ' A' ' 88' ' ' PHE . 39.5 mmtm -70.95 -26.16 63.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.857 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 120.24 29.32 1.64 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.506 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 52.0 mt . . . . . 0 C--N 1.329 -0.307 0 CA-C-O 120.856 0.36 . . . . 0.0 111.095 -179.909 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 59.4 mt -59.9 176.76 0.28 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.848 0.356 . . . . 0.0 110.891 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 4.3 m -155.7 119.57 4.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.851 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -54.11 -50.69 66.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.08 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -50.68 -54.5 22.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.875 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -56.95 -45.4 82.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.868 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 76.5 mt -58.5 -50.27 79.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.104 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . 0.473 ' CZ ' ' HG2' ' A' ' 75' ' ' ARG . 5.8 ttt-85 -52.98 -37.22 61.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.858 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 72.0 m-80 -68.24 -28.3 67.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.891 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 96.37 28.41 9.13 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.499 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . 0.412 ' O ' ' N ' ' A' ' 111' ' ' ALA . 32.6 t30 -73.87 105.27 5.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.881 0.372 . . . . 0.0 110.902 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.46 HD13 ' CG ' ' A' ' 44' ' ' GLN . 8.6 tp -37.74 -49.75 1.17 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.892 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 29.8 mmtt -48.08 -42.24 28.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . 0.412 ' N ' ' O ' ' A' ' 108' ' ' ASN . . . -72.49 -64.09 1.02 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.083 179.829 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.469 ' CG2' ' HG ' ' A' ' 43' ' ' LEU . 5.1 mp -43.7 -60.86 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.159 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 94.3 mt -43.79 -42.12 5.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.935 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -61.36 -47.59 89.94 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.486 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.499 ' CD2' ' CD2' ' A' ' 116' ' ' PHE . 0.3 OUTLIER -55.14 -57.97 9.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.806 0.336 . . . . 0.0 110.882 -179.923 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . 0.517 ' CE2' HD11 ' A' ' 43' ' ' LEU . 10.7 m-85 -66.16 -27.97 68.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . 0.524 ' CD1' ' C ' ' A' ' 117' ' ' PHE . 1.8 t80 -64.28 -37.18 86.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.858 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 23.0 p -91.77 -48.76 6.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.862 -179.809 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 14.8 tp -42.76 -60.72 1.47 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.912 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' SER . . . . . 0.46 ' HA ' ' CZ2' ' A' ' 26' ' ' TRP . 5.8 t -37.9 -53.47 1.32 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.83 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . 0.405 ' C ' ' O ' ' A' ' 120' ' ' SER . 63.3 mtm180 -37.95 -45.54 0.88 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.846 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 36.4 t80 -41.8 -56.7 2.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.901 -179.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . 0.423 ' O ' ' C ' ' A' ' 124' ' ' GLN . 12.6 tptp -78.25 -53.89 6.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' GLN . . . . . 0.423 ' C ' ' O ' ' A' ' 123' ' ' LYS . 43.3 mt-30 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.893 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.457 ' O ' ' N ' ' A' ' 18' ' ' ASP . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.402 ' C ' ' O ' ' A' ' 15' ' ' GLY . 40.4 mt -37.62 -53.79 1.2 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.715 0.293 . . . . 0.0 110.879 -179.88 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -55.96 -38.9 70.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.457 ' N ' ' O ' ' A' ' 15' ' ' GLY . 0.6 OUTLIER -69.58 -48.49 60.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.826 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -47.49 -41.34 20.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 50.1 tttt -48.34 -36.87 15.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 24.2 ttp180 -75.92 -59.15 2.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.851 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 41.5 mt -38.41 -37.73 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.131 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 -74.82 -52.05 12.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.964 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.419 ' O ' ' CG ' ' A' ' 28' ' ' ASN . 89.8 m -41.34 -53.12 3.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.145 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 31.8 t0 -60.63 -35.91 77.32 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.888 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 72.9 t90 -62.57 -44.48 96.23 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -76.44 -39.31 53.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.076 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.419 ' CG ' ' O ' ' A' ' 24' ' ' THR . 23.4 m120 -47.33 -47.34 25.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.926 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 44.3 t60 -53.29 -53.67 47.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.848 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 73.9 m-85 -57.9 -19.27 28.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.917 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 15.8 mt -88.66 -47.25 8.4 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.921 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.79 -32.82 73.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.085 179.81 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.4 ptmm? -62.93 -38.31 90.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.916 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 56.0 p -89.58 18.2 5.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.854 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 63.47 61.58 6.15 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.501 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . 0.436 ' O ' ' C ' ' A' ' 37' ' ' LYS . 76.3 t60 -117.63 81.8 1.72 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.917 0.389 . . . . 0.0 110.852 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.436 ' C ' ' O ' ' A' ' 36' ' ' HIS . 35.9 mttp -34.19 -61.42 0.37 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.908 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.463 ' HG2' ' N ' ' A' ' 39' ' ' LEU . 57.4 ttm-85 -49.6 162.79 0.14 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.871 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.463 ' N ' ' HG2' ' A' ' 38' ' ' ARG . 50.7 mt -143.86 176.05 9.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.462 HG21 ' CB ' ' A' ' 46' ' ' ASP . 92.3 mt -98.24 114.75 36.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.126 179.858 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 14.1 mmt85 -82.88 -63.86 1.28 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.485 ' O ' ' N ' ' A' ' 45' ' ' GLN . 56.1 m-20 -114.78 100.69 8.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.842 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.448 ' C ' ' O ' ' A' ' 42' ' ' ASP . 14.9 tp -34.34 -37.12 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.903 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.419 ' N ' ' O ' ' A' ' 42' ' ' ASP . 49.8 mt-30 -63.83 -48.58 76.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.897 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.485 ' N ' ' O ' ' A' ' 42' ' ' ASP . 34.2 mm-40 -76.15 -25.98 55.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.933 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.462 ' CB ' HG21 ' A' ' 40' ' ' ILE . 0.2 OUTLIER -66.91 -11.58 56.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.876 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.401 HG22 ' CG2' ' A' ' 104' ' ' ILE . 17.9 m -129.18 38.12 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.11 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.424 HG21 ' NE2' ' A' ' 45' ' ' GLN . 1.9 p -90.68 -33.86 15.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.182 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 30.4 p-10 -107.05 -15.39 14.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.838 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 85.41 -21.92 12.0 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.526 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 42.8 t -58.26 -67.56 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.925 0.393 . . . . 0.0 111.097 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -55.04 -33.1 62.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.947 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.0 tp -63.11 -51.0 68.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.883 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -62.91 -33.83 76.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.094 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.423 HE22 ' CE1' ' A' ' 36' ' ' HIS . 18.3 mt-30 -48.13 -26.14 1.75 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.868 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 5.0 mp -92.86 -57.3 4.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.159 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 57.4 mt -42.69 -54.77 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.154 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -50.44 -34.98 26.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 94.2 t -76.89 -65.26 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.104 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 6.6 p -54.34 -19.61 3.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.135 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -106.46 -9.21 16.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.103 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 62.8 t30 54.0 39.9 31.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -139.79 165.18 27.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.907 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 27.0 ttpt -116.75 137.71 52.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.863 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.425 ' HB ' ' CG1' ' A' ' 68' ' ' ILE . 17.4 mt -100.75 110.56 28.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.115 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -78.81 -10.58 59.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.871 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -94.41 38.88 1.09 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.887 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.425 ' CG1' ' HB ' ' A' ' 65' ' ' ILE . 23.2 mm -115.68 110.7 32.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.104 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 67.0 t30 -41.95 -48.89 4.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 100.44 -64.07 0.59 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.526 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 40.8 t -126.09 83.53 63.19 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.602 0.715 . . . . 0.0 110.853 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 137.37 35.28 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.696 2.264 . . . . 0.0 112.37 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 5.4 mtmp? -124.7 -34.23 2.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.855 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -90.46 169.4 11.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.887 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 4.2 ptp180 -71.44 -26.15 62.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.902 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.433 ' O ' ' N ' ' A' ' 79' ' ' ILE . 63.1 m -91.05 -36.27 14.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 -179.813 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -45.98 -26.62 0.75 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.972 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 18.7 mtt -81.85 -31.86 31.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.854 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.433 ' N ' ' O ' ' A' ' 76' ' ' SER . 26.9 mm -53.48 -50.78 47.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.129 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -55.7 -48.17 75.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.91 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 7.5 m-20 -45.41 -68.66 0.18 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.903 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 13.7 mt -52.56 -36.69 22.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.138 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -60.75 -44.53 96.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -55.77 -41.69 74.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.145 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 60.3 m -65.97 -42.5 89.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 73.5 mt -62.38 -43.26 99.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.881 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 69.0 m-80 -73.04 -38.66 66.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.877 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.483 ' CD1' ' C ' ' A' ' 88' ' ' PHE . 1.3 t80 -63.04 -38.07 89.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 26.8 mt -68.52 -49.42 59.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.951 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -45.95 -46.87 16.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.118 179.786 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -59.13 -30.97 68.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.124 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . 0.422 ' HB3' ' CE2' ' A' ' 122' ' ' TYR . 69.3 mmtt -75.58 -14.6 60.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.91 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 107.03 38.99 2.06 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.464 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 73.4 mt . . . . . 0 C--N 1.329 -0.312 0 CA-C-O 120.852 0.358 . . . . 0.0 111.132 -179.999 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.378 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 49.1 mt -69.01 171.86 7.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.851 0.358 . . . . 0.0 110.908 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 31.1 m -150.95 106.12 3.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.837 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -43.23 -40.61 3.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.149 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -60.24 -53.52 56.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 22.5 mm-40 -53.8 -44.73 70.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.872 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.401 ' CG2' HG22 ' A' ' 47' ' ' VAL . 41.6 mt -58.03 -42.34 82.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.11 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 10.1 ttt85 -60.65 -33.29 72.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 63.5 m-20 -76.31 -18.37 58.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 90.74 35.82 7.1 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.482 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' ASN . . . . . 0.425 ' O ' ' CD1' ' A' ' 112' ' ' ILE . 11.3 t-20 -78.47 100.16 6.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.891 0.377 . . . . 0.0 110.871 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.406 HD12 ' CG ' ' A' ' 44' ' ' GLN . 4.4 tp -39.92 -65.07 0.43 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.927 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 12.5 mmtp -38.38 -34.23 0.12 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.94 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -76.36 -63.05 1.42 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.107 179.797 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.425 ' CD1' ' O ' ' A' ' 108' ' ' ASN . 5.3 mp -47.76 -58.83 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.134 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 75.8 mt -40.51 -47.28 2.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.915 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -55.51 -42.91 85.24 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.434 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.57 ' CD2' ' CD2' ' A' ' 116' ' ' PHE . 0.1 OUTLIER -63.45 -57.88 8.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.853 0.358 . . . . 0.0 110.914 -179.922 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . 0.57 ' CD2' ' CD2' ' A' ' 115' ' ' LEU . 11.1 m-85 -66.15 -17.94 65.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.878 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . 0.473 ' CD1' ' C ' ' A' ' 117' ' ' PHE . 4.0 t80 -73.47 -36.83 65.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.874 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 8.0 t -93.27 -46.72 7.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.871 -179.792 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 5.5 tp -43.74 -53.04 6.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.969 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 56.7 p -52.27 -32.91 39.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.844 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . 0.456 ' CZ ' ' HB3' ' A' ' 121' ' ' ARG . 9.5 mtp-105 -61.07 -49.21 78.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.868 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' TYR . . . . . 0.422 ' CE2' ' HB3' ' A' ' 92' ' ' LYS . 4.8 t80 -41.62 -56.12 2.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.903 -179.854 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 9.1 tptp -63.24 -43.59 97.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.875 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 18.7 mm100 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.929 179.963 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 t -126.6 137.49 53.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.847 0.356 . . . . 0.0 110.856 -179.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 95.7 p -96.11 160.87 14.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.882 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -164.73 98.3 0.15 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.471 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.1 t -143.68 171.26 14.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.874 0.369 . . . . 0.0 110.851 -179.732 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.0 m -100.2 95.71 6.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.835 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -118.12 -138.7 6.02 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.522 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 24.7 pttm -90.66 140.61 29.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.763 0.316 . . . . 0.0 110.894 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 4.1 tpp85 -110.39 120.19 41.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.842 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 32.4 mttt -130.04 155.83 80.08 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.614 0.721 . . . . 0.0 110.884 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 113.22 3.29 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.688 2.259 . . . . 0.0 112.37 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 7.6 p -146.88 142.24 20.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.098 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.469 HG23 ' N ' ' A' ' 14' ' ' HIS . 42.4 mm -86.7 150.46 3.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.127 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.469 ' N ' HG23 ' A' ' 13' ' ' ILE . 62.6 m80 -123.99 81.12 1.88 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -43.17 167.34 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.458 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 42.3 mt -41.29 -55.33 2.74 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.792 0.33 . . . . 0.0 110.897 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -58.02 -37.95 75.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.909 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.411 ' HB2' ' C ' ' A' ' 14' ' ' HIS . 10.9 m-20 -65.11 -38.34 90.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.864 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.434 ' O ' ' C ' ' A' ' 20' ' ' LYS . 25.1 mt-30 -60.57 -50.16 74.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.87 -179.872 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.434 ' C ' ' O ' ' A' ' 19' ' ' GLN . 34.4 tttt -35.05 -36.53 0.06 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.885 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.446 ' O ' ' C ' ' A' ' 22' ' ' ILE . 1.6 tmt_? -75.84 -64.43 1.09 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.878 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.446 ' C ' ' O ' ' A' ' 21' ' ' ARG . 91.2 mt -33.85 -50.51 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.119 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.509 ' CD1' ' HB3' ' A' ' 116' ' ' PHE . 26.6 m-85 -64.1 -49.75 71.02 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.94 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 41.5 m -43.64 -48.09 7.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.109 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 34.5 t0 -65.4 -43.85 89.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.858 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . 0.411 ' CZ2' ' HA ' ' A' ' 120' ' ' SER . 91.7 t90 -55.02 -41.05 70.84 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.911 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.416 ' O ' ' N ' ' A' ' 30' ' ' TYR . . . -76.8 -56.64 4.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.113 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 32.0 m-20 -38.7 -39.71 0.53 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.863 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -54.95 -44.2 74.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.858 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.512 ' CZ ' HG22 ' A' ' 60' ' ' VAL . 72.4 m-85 -69.86 -24.01 63.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 -179.795 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 15.2 mt -79.82 -56.92 3.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.934 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -57.0 -49.65 75.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.103 179.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 9.1 ptmt -46.62 -38.7 9.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.9 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 37.9 p -90.85 31.92 1.03 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 51.85 61.5 6.42 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.518 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.41 ' CD2' ' O ' ' A' ' 38' ' ' ARG . 85.4 t60 -119.39 85.47 2.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.809 0.338 . . . . 0.0 110.864 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 36' ' ' HIS . 35.2 mttt -37.59 -71.28 0.08 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.865 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.41 ' O ' ' CD2' ' A' ' 36' ' ' HIS . 26.7 ttm180 -43.85 150.54 0.25 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.894 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 39.1 mt -133.17 179.91 5.9 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.903 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.413 HD12 ' CD1' ' A' ' 56' ' ' ILE . 95.9 mt -96.63 107.59 20.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.127 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 13.5 mmm-85 -83.66 -58.11 2.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.877 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.404 ' O ' ' N ' ' A' ' 45' ' ' GLN . 0.6 OUTLIER -115.0 101.33 8.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.863 179.943 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 13.7 tp -44.93 -41.71 7.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.934 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.436 ' CG ' HD13 ' A' ' 109' ' ' LEU . 31.3 mt-30 -66.35 -29.64 69.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.931 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.404 ' N ' ' O ' ' A' ' 42' ' ' ASP . 10.4 mt-30 -102.83 7.11 39.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.924 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -100.64 -9.27 22.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.86 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 29.8 m -130.4 34.3 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.149 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 22.4 p -92.02 -25.02 19.01 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.131 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -108.81 -14.55 14.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.87 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 80.11 -17.08 10.29 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.456 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 91.0 t -61.79 -66.0 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.858 0.361 . . . . 0.0 111.126 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.8 tt -59.32 -27.59 66.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.906 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.8 tp -65.76 -53.57 38.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.919 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.24 -37.04 81.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.099 179.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 14.6 mt-30 -48.39 -22.89 0.78 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.94 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.413 ' CD1' HD12 ' A' ' 40' ' ' ILE . 11.6 mt -95.49 -48.83 12.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.107 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.456 HG23 ' CE1' ' A' ' 88' ' ' PHE . 47.2 mt -52.65 -54.66 14.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.148 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -53.61 -21.41 6.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.898 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 85.5 t -86.24 -67.62 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.077 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.512 HG22 ' CZ ' ' A' ' 30' ' ' TYR . 13.9 p -52.95 -35.39 22.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.091 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -85.83 -24.47 26.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.059 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 8.3 m-80 68.18 38.89 2.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.914 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -139.55 160.26 40.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.2 139.27 41.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 20.1 mt -108.29 102.27 13.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.113 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -74.64 -14.46 60.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.916 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 64.0 m-20 -87.54 31.32 0.75 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.85 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 37.0 mm -111.83 118.62 58.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.158 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 59.9 t30 -44.83 -53.74 7.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.893 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 95.49 -47.95 1.9 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.542 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 92.1 m -129.53 80.87 71.07 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.672 0.748 . . . . 0.0 110.868 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 132.23 22.91 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.646 2.231 . . . . 0.0 112.303 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 22.9 mttt -127.95 -49.84 1.34 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 20.4 t30 -81.46 161.42 23.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.857 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.419 ' HB2' ' NH2' ' A' ' 105' ' ' ARG . 0.3 OUTLIER -61.96 -29.12 70.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.888 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 76.3 p -84.74 -45.46 12.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.876 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -41.77 -48.0 4.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.895 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 14.4 mtt -54.75 -37.95 66.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.836 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 4.3 mm -53.28 -59.07 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.169 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -41.14 -43.16 2.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.939 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -54.01 -66.0 0.47 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.939 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 16.1 mt -56.52 -40.46 68.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.087 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -57.15 -51.07 70.8 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.806 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -54.7 -38.2 66.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.085 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 49.3 m -66.23 -40.29 90.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.908 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 67.8 mt -65.15 -49.53 69.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.897 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 57.1 m-80 -64.52 -35.25 80.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.915 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.456 ' CE1' HG23 ' A' ' 57' ' ' ILE . 1.7 t80 -67.13 -36.22 81.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 27.8 mt -72.46 -45.43 59.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -50.84 -44.88 59.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.094 179.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -60.89 -28.79 69.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.135 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 25.9 mmtp -77.88 -10.27 59.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 102.79 27.73 6.56 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.51 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.461 ' CD1' ' HB2' ' A' ' 122' ' ' TYR . 78.2 mt -108.67 123.46 64.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.893 0.378 . . . . 0.0 111.122 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -66.0 112.05 3.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.887 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 36.4 pt -107.99 -17.31 8.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.15 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 5.3 mm100 -47.01 131.72 12.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.94 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 110.22 -38.78 3.15 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.481 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 71.7 mt -62.88 -178.41 0.21 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.85 0.357 . . . . 0.0 110.899 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 13.1 m -162.95 107.3 1.09 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.844 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -42.94 -44.14 4.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.112 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -57.78 -52.44 65.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.878 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 32.8 mm-40 -55.03 -42.04 72.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 23.2 mt -65.15 -41.7 92.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.126 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.419 ' NH2' ' HB2' ' A' ' 75' ' ' ARG . 15.8 ttt-85 -61.03 -34.71 75.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.835 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 25.7 m-20 -72.62 -26.56 61.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.895 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 100.82 21.15 12.61 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.446 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 60.3 t30 -67.16 106.85 2.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.879 0.371 . . . . 0.0 110.923 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.447 ' O ' ' C ' ' A' ' 110' ' ' LYS . 10.3 tp -42.86 -63.95 0.71 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.907 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.447 ' C ' ' O ' ' A' ' 109' ' ' LEU . 15.9 mmtm -34.32 -36.02 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 179.825 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . 0.44 ' N ' ' O ' ' A' ' 109' ' ' LEU . . . -78.0 -72.79 0.35 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.13 179.806 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 5.3 mp -37.82 -52.28 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.149 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 17.0 mt -52.53 -46.91 66.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.905 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -57.69 -35.7 75.32 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.511 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.518 ' CD2' ' N ' ' A' ' 116' ' ' PHE . 0.2 OUTLIER -66.46 -57.21 7.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.839 0.352 . . . . 0.0 110.942 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . 0.518 ' N ' ' CD2' ' A' ' 115' ' ' LEU . 12.4 m-85 -65.64 -14.76 61.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.879 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . 0.449 ' CD1' ' C ' ' A' ' 117' ' ' PHE . 3.3 t80 -78.56 -31.89 47.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 8.8 p -93.8 -42.4 9.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.877 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 12.5 tp -49.58 -59.1 4.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.928 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' SER . . . . . 0.411 ' HA ' ' CZ2' ' A' ' 26' ' ' TRP . 41.4 t -44.3 -40.82 5.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 39.5 mtp85 -51.07 -54.45 24.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.896 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . 0.461 ' HB2' ' CD1' ' A' ' 94' ' ' ILE . 1.3 t80 -40.57 -50.56 2.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.914 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 21.5 tptt -67.4 -55.12 15.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.858 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 59.3 mm-40 -50.7 146.6 5.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.893 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 22.2 tt0 69.94 35.03 2.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.958 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 7.5 mm100 -108.72 90.35 3.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.915 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 67.4 mt-30 -125.18 113.25 17.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.923 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . 0.464 ' OE1' ' N ' ' A' ' 128' ' ' GLN . 0.0 OUTLIER -118.95 142.49 32.03 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.609 0.718 . . . . 0.0 110.926 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--N 1.341 0.173 0 C-N-CA 122.692 2.261 . . . . 0.0 112.358 179.961 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.4 t -106.49 138.4 42.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.828 0.346 . . . . 0.0 110.881 -179.751 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.9 t -49.09 99.59 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.831 -179.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 119.76 -166.21 13.43 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.494 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.8 m -102.91 95.34 6.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.907 0.384 . . . . 0.0 110.813 -179.724 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.6 t -131.83 143.84 50.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.83 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -117.18 -146.61 8.38 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.481 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 21.1 mmtp -148.88 168.37 23.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.826 0.346 . . . . 0.0 110.868 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 8.5 mpt_? -99.93 -74.96 0.58 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.835 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.402 ' HD2' ' N ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -50.58 152.68 3.19 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.563 0.697 . . . . 0.0 110.92 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 134.46 27.93 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.692 2.261 . . . . 0.0 112.33 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 12.3 p -111.95 139.39 36.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.154 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.448 HG21 ' N ' ' A' ' 14' ' ' HIS . 6.6 mm -92.63 135.15 28.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.084 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.55 ' CD2' HD11 ' A' ' 22' ' ' ILE . 82.9 m-70 -102.61 87.96 3.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 179.836 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.458 ' N ' ' HB2' ' A' ' 18' ' ' ASP . . . -46.54 173.63 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.477 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 87.5 mt -43.87 -60.91 1.62 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.818 0.342 . . . . 0.0 110.957 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -55.64 -36.68 67.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.891 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.458 ' HB2' ' N ' ' A' ' 15' ' ' GLY . 0.9 OUTLIER -64.21 -41.45 97.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.85 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.408 ' O ' ' C ' ' A' ' 20' ' ' LYS . 35.5 mt-30 -53.52 -51.69 62.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 19' ' ' GLN . 33.5 tttt -36.25 -46.28 0.51 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.918 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.441 ' HD2' ' N ' ' A' ' 22' ' ' ILE . 1.4 tmm_? -60.25 -57.85 11.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.55 HD11 ' CD2' ' A' ' 14' ' ' HIS . 72.9 mt -44.84 -43.47 2.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.145 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 25.2 m-85 -73.05 -46.23 52.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 53.7 m -48.06 -55.85 9.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.135 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -64.09 -32.67 74.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.852 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 81.4 t90 -61.52 -47.26 86.42 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.907 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.52 -43.42 69.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.074 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 40.9 m-20 -46.65 -52.01 14.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.921 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -41.18 -43.9 2.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.86 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.52 ' CE2' ' HB ' ' A' ' 60' ' ' VAL . 96.8 m-85 -66.43 -44.64 82.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.915 -179.838 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 57.0 mt -62.86 -39.02 93.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.948 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -71.14 -52.51 18.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.1 179.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.4 pttm -60.18 -30.81 69.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.911 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.9 t -80.78 -7.65 59.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.848 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.99 63.04 1.85 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.522 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 2.6 t-80 -116.62 156.6 26.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.864 0.364 . . . . 0.0 110.847 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 54.4 mmtt -94.0 -72.85 0.59 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.879 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 8.3 ttm-85 -63.59 131.69 48.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.906 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 39.6 mt -100.48 -175.14 2.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.943 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 57.9 mt -96.71 102.57 13.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.164 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.404 ' N ' ' OD2' ' A' ' 46' ' ' ASP . 15.5 mmt-85 -79.46 -64.26 1.23 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.836 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.402 ' O ' ' N ' ' A' ' 45' ' ' GLN . 4.4 m-20 -115.12 98.15 6.62 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.516 HD11 ' CE2' ' A' ' 116' ' ' PHE . 14.7 tp -43.52 -31.9 0.81 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.911 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 59.6 mt-30 -69.98 -40.22 75.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.437 ' HA ' ' CG2' ' A' ' 48' ' ' THR . 6.7 mm100 -84.57 -56.48 3.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.954 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.404 ' OD2' ' N ' ' A' ' 41' ' ' ARG . 28.4 m-20 -42.69 -23.66 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.839 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.45 ' CG2' ' O ' ' A' ' 43' ' ' LEU . 10.3 m -108.55 39.78 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.116 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.437 ' CG2' ' HA ' ' A' ' 45' ' ' GLN . 18.9 p -99.57 -27.43 13.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.128 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -108.04 -17.0 14.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 86.51 -21.31 18.51 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.509 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 70.0 t -54.55 -70.55 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.86 0.362 . . . . 0.0 111.138 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.469 ' HG ' ' NE2' ' A' ' 55' ' ' GLN . 2.3 tt -54.61 -37.56 65.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.941 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.5 tp -56.3 -46.91 79.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.94 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -67.85 -38.99 83.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.071 179.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.469 ' NE2' ' HG ' ' A' ' 52' ' ' LEU . 28.0 mt-30 -41.57 -30.23 0.21 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.921 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.476 ' O ' ' N ' ' A' ' 59' ' ' VAL . 5.0 mp -92.14 -58.08 3.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.102 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 61.7 mt -39.22 -51.18 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.147 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 -60.58 -34.03 73.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.909 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.476 ' N ' ' O ' ' A' ' 56' ' ' ILE . 69.4 t -74.57 -58.51 4.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.144 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.52 ' HB ' ' CE2' ' A' ' 30' ' ' TYR . 6.1 p -58.83 -25.95 30.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.08 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -98.53 -18.56 18.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.091 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 7.5 m120 65.82 30.78 9.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -133.24 159.76 39.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.847 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -108.06 137.5 45.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.886 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.405 ' HB ' ' CG1' ' A' ' 68' ' ' ILE . 35.6 mt -99.68 102.26 13.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.129 179.846 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -71.85 -9.66 58.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.839 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 46.1 t0 -94.32 34.98 1.22 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.863 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.405 ' CG1' ' HB ' ' A' ' 65' ' ' ILE . 29.3 mm -114.85 121.51 67.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.162 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.404 ' ND2' ' HA ' ' A' ' 72' ' ' PRO . 44.1 t30 -54.56 -52.96 60.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 101.28 -52.32 0.9 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.469 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 78.1 m -133.38 80.98 56.51 Favored Pre-proline 0 C--N 1.327 -0.378 0 CA-C-O 121.644 0.735 . . . . 0.0 110.853 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.404 ' HA ' ' ND2' ' A' ' 69' ' ' ASN . 53.9 Cg_endo -69.76 122.79 9.46 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.693 2.262 . . . . 0.0 112.325 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 7.1 mmmm -110.96 -37.86 5.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.43 ' HB2' ' CG ' ' A' ' 77' ' ' GLN . 64.5 m-20 -79.92 166.57 21.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.916 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 1.1 tmt_? -72.69 -34.1 66.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.2 m -86.59 -29.02 22.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.43 ' CG ' ' HB2' ' A' ' 74' ' ' ASN . 6.4 mm-40 -48.19 -39.4 20.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.879 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 12.8 mtt -61.21 -43.1 99.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.848 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 20.8 mm -45.21 -58.0 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.149 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.418 ' O ' ' C ' ' A' ' 81' ' ' ASN . 20.6 mt-10 -44.18 -60.47 1.88 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.85 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.418 ' C ' ' O ' ' A' ' 80' ' ' GLU . 5.2 m-20 -36.16 -72.29 0.06 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 22.4 mt -48.93 -38.17 10.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.177 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -57.76 -49.99 74.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.897 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -52.59 -39.25 61.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.142 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 57.9 m -65.76 -37.79 87.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.885 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 82.0 mt -68.23 -42.83 79.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 69.2 m-80 -75.21 -33.74 61.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.88 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 12.3 t80 -67.92 -31.19 70.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.907 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 42.2 mt -79.12 -45.47 19.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.923 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -53.25 -42.92 66.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.113 179.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -60.55 -20.8 61.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.111 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 21.8 mmtp -86.56 -16.6 36.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 112.49 33.38 2.11 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.46 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 67.1 mt -116.88 124.93 73.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.886 0.374 . . . . 0.0 111.096 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -67.73 115.0 6.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.86 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 44.1 pt -107.94 -21.39 5.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.122 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 6.5 mm100 -40.72 127.85 2.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.907 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 111.98 -37.34 3.72 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.485 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 39.3 mt -68.07 154.54 41.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.787 0.327 . . . . 0.0 110.921 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 7.0 m -134.64 108.16 7.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.829 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -43.52 -38.56 2.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.139 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -61.03 -53.35 58.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -52.82 -44.82 66.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.869 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 17.4 mt -59.1 -46.44 91.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.158 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 18.8 ttt-85 -58.23 -35.67 72.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.892 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 84.3 m-20 -72.61 -22.79 60.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 93.35 36.49 5.9 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.477 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . 0.414 ' O ' ' N ' ' A' ' 111' ' ' ALA . 0.1 OUTLIER -80.9 102.23 9.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.882 0.372 . . . . 0.0 110.869 -179.853 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.414 ' CD2' HD12 ' A' ' 113' ' ' LEU . 2.6 tp -37.87 -55.3 1.21 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 12.6 mmtp -45.42 -40.75 8.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . 0.414 ' N ' ' O ' ' A' ' 108' ' ' ASN . . . -70.5 -63.66 1.05 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.14 179.793 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 5.3 mp -46.75 -61.45 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.132 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.414 HD12 ' CD2' ' A' ' 109' ' ' LEU . 85.1 mt -44.82 -45.3 10.05 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.923 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -58.34 -32.91 68.95 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.511 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.575 ' CD2' ' CD2' ' A' ' 116' ' ' PHE . 0.1 OUTLIER -73.26 -58.44 3.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.816 0.341 . . . . 0.0 110.916 -179.933 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . 0.575 ' CD2' ' CD2' ' A' ' 115' ' ' LEU . 12.1 m-85 -63.58 -20.48 65.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.851 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 12.8 t80 -70.54 -33.07 70.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 5.0 m -93.8 -43.6 8.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 10.4 tp -49.03 -57.83 5.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.928 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.3 t -42.34 -45.7 4.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.838 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 35.5 mtp85 -47.45 -50.94 21.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.863 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . 0.406 ' CD1' ' C ' ' A' ' 122' ' ' TYR . 2.2 t80 -47.47 -51.35 20.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.967 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 27.9 tptt -64.21 -48.57 75.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.87 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -61.9 153.68 28.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.929 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 58.6 mt-30 48.96 48.19 20.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.874 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -81.77 49.85 1.42 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 -95.28 -39.1 10.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.867 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -136.95 151.26 71.85 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.569 0.7 . . . . 0.0 110.943 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--N 1.341 0.15 0 C-N-CA 122.681 2.254 . . . . 0.0 112.351 -179.984 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.8 p -131.06 119.54 22.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.837 0.351 . . . . 0.0 110.847 -179.708 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 61.4 p -40.37 -48.09 2.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.87 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 112.09 167.43 17.83 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.534 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.2 t -163.81 146.1 9.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.855 0.36 . . . . 0.0 110.829 -179.711 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 36.3 t -60.39 -56.29 23.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.845 -179.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 107.08 82.06 1.46 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.474 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 28.6 mmtm -85.74 105.12 16.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.808 0.337 . . . . 0.0 110.88 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.417 ' CD ' ' O ' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -92.03 20.84 5.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.895 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 43.5 mttt -79.69 143.48 58.76 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.629 0.728 . . . . 0.0 110.892 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 118.9 5.96 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.715 2.277 . . . . 0.0 112.347 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.404 ' CG2' ' N ' ' A' ' 13' ' ' ILE . 3.2 p -140.14 155.67 24.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.116 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.451 HG21 ' N ' ' A' ' 14' ' ' HIS . 19.2 mm -84.52 153.97 3.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.155 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.451 ' N ' HG21 ' A' ' 13' ' ' ILE . 46.7 m-70 -119.35 83.43 2.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.839 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.411 ' O ' ' N ' ' A' ' 18' ' ' ASP . . . -48.97 164.54 0.35 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.473 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 76.0 mt -42.95 -46.6 5.47 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.768 0.318 . . . . 0.0 110.877 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -63.4 -32.59 74.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.88 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.411 ' N ' ' O ' ' A' ' 15' ' ' GLY . 8.5 m-20 -74.05 -33.96 63.9 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.407 ' O ' ' C ' ' A' ' 20' ' ' LYS . 22.4 mt-30 -64.06 -49.72 71.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.905 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 19' ' ' GLN . 31.2 tttt -37.39 -47.55 0.87 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.931 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.41 ' O ' ' N ' ' A' ' 24' ' ' THR . 5.5 tmm_? -67.15 -58.79 4.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.439 HD13 ' CG ' ' A' ' 14' ' ' HIS . 94.5 mt -40.44 -45.35 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.157 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.422 ' CG ' ' HB3' ' A' ' 116' ' ' PHE . 19.5 m-85 -70.08 -36.52 74.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.902 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.41 ' N ' ' O ' ' A' ' 21' ' ' ARG . 70.5 m -56.62 -66.54 0.42 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.154 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -48.64 -33.44 9.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.879 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . 0.558 ' CZ2' ' HA ' ' A' ' 120' ' ' SER . 90.3 t90 -65.33 -51.86 57.71 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.926 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.48 ' HB1' ' CE1' ' A' ' 116' ' ' PHE . . . -68.19 -51.99 39.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.132 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -46.85 -40.41 13.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.85 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -51.4 -36.73 44.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.84 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 71.8 m-85 -73.03 -19.51 61.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.94 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 32.0 mt -84.29 -42.16 16.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.947 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -72.21 -28.08 62.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.129 179.77 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 3.4 ptmm? -73.85 -39.72 63.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.862 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 31.4 m -82.28 12.79 4.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.868 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 61.65 52.92 47.68 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.43 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.569 ' CD2' ' HB3' ' A' ' 38' ' ' ARG . 65.5 t60 -93.34 134.04 35.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.84 0.352 . . . . 0.0 110.835 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 22.7 mmtm -86.98 50.97 2.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.903 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.569 ' HB3' ' CD2' ' A' ' 36' ' ' HIS . 23.8 ttm180 -175.62 163.45 2.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.866 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 50.0 mt -137.41 -178.06 5.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.93 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 81.8 mt -104.18 111.56 34.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.152 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 3.3 tpp85 -86.19 -61.05 1.83 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.872 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.495 ' O ' ' N ' ' A' ' 46' ' ' ASP . 3.3 m-20 -115.1 107.59 15.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.852 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 13.2 tp -54.58 -39.88 68.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.918 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.452 ' NE2' ' HB2' ' A' ' 109' ' ' LEU . 32.7 mt-30 -76.11 -1.98 28.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 70.2 mt-30 -129.89 -1.65 4.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.903 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.495 ' N ' ' O ' ' A' ' 42' ' ' ASP . 0.4 OUTLIER -93.01 -16.23 25.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.833 179.948 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 18.0 m -118.02 34.09 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.085 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 37.7 p -92.71 -33.14 14.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.14 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -97.68 -10.77 24.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.896 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 70.16 -1.74 17.2 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.485 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 66.8 t -74.12 -69.39 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.814 0.34 . . . . 0.0 111.157 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.7 tt -56.29 -35.65 67.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.944 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 6.0 tp -52.52 -58.81 5.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.954 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -53.82 -46.73 71.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.1 179.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.406 ' NE2' ' CE1' ' A' ' 36' ' ' HIS . 18.6 mt-30 -41.72 -28.04 0.13 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.92 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 17.4 mt -91.35 -48.45 13.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.167 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 62.7 mt -54.45 -55.9 12.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.116 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -48.69 -30.71 5.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.92 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 89.5 t -76.61 -66.31 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.087 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 5.9 p -53.67 -26.86 14.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.134 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -97.22 -16.21 20.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.101 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 11.8 m-80 60.92 31.19 19.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.901 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -129.79 163.23 26.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.872 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 4.6 ttmt -113.13 136.54 52.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.904 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.434 ' CG2' HG12 ' A' ' 68' ' ' ILE . 19.4 mt -103.07 103.45 15.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.142 179.858 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -75.7 -12.38 60.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.862 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 29.6 m-20 -91.73 35.1 0.96 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.875 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.434 HG12 ' CG2' ' A' ' 65' ' ' ILE . 40.8 mm -114.4 126.39 71.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.133 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 56.9 t30 -57.85 -70.88 0.12 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.927 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 112.2 -46.39 1.18 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.518 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 8.8 m -133.96 81.64 51.26 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.629 0.728 . . . . 0.0 110.862 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 140.63 43.13 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.679 2.253 . . . . 0.0 112.368 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 71.4 mttt -129.81 -32.76 1.86 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.905 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -93.51 168.83 10.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.902 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -71.34 -28.88 64.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.904 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.426 ' O ' ' C ' ' A' ' 77' ' ' GLN . 82.9 p -90.11 -40.76 12.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.857 -179.802 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.426 ' C ' ' O ' ' A' ' 76' ' ' SER . 7.2 mm-40 -36.11 -40.96 0.23 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.903 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.408 ' O ' ' C ' ' A' ' 79' ' ' ILE . 20.2 mtt -62.81 -50.07 72.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.419 ' N ' ' O ' ' A' ' 76' ' ' SER . 36.0 mm -37.38 -54.72 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.104 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 39.6 mm-40 -52.12 -45.34 64.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.905 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -51.08 -63.32 1.17 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.883 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 17.5 mt -59.92 -38.53 76.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.145 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -57.4 -48.48 78.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.847 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -52.53 -41.94 63.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.129 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 58.7 m -65.18 -40.49 94.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 34.7 mt -67.11 -45.72 76.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.914 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 69.2 m-80 -67.37 -35.12 78.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.898 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.461 ' CD1' ' C ' ' A' ' 88' ' ' PHE . 1.4 t80 -67.6 -42.84 81.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.879 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 30.0 mt -66.56 -40.36 88.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.9 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -53.23 -41.42 65.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.124 179.781 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -62.67 -9.8 10.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.089 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 51.3 mmtt -97.45 -13.05 22.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 110.3 21.81 6.77 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.494 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.412 HG21 ' N ' ' A' ' 95' ' ' ASN . 64.0 mt -105.61 139.56 26.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.867 0.365 . . . . 0.0 111.14 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . 0.412 ' N ' HG21 ' A' ' 94' ' ' ILE . 26.3 t-20 -79.04 121.41 24.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.82 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 39.1 pt -118.13 -24.67 3.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.15 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -40.7 -50.51 3.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.895 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -56.42 -40.79 86.87 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.502 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 63.3 mt -66.04 165.17 13.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.808 0.337 . . . . 0.0 110.932 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 17.0 m -141.62 106.56 4.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.852 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -44.94 -44.25 9.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.137 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -58.85 -53.36 59.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.874 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -53.68 -50.55 65.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.85 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 42.4 mt -52.08 -44.49 39.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.114 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 52.1 ttt-85 -56.96 -36.22 70.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.895 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 46.1 m-80 -73.38 -19.57 60.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.889 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 94.8 9.83 58.23 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.51 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -52.69 107.28 0.21 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.905 0.384 . . . . 0.0 110.883 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.452 ' HB2' ' NE2' ' A' ' 44' ' ' GLN . 16.9 tp -45.5 -58.9 3.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.959 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 9.0 mmtp -42.76 -24.19 0.06 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 179.776 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . 0.404 ' N ' ' O ' ' A' ' 109' ' ' LEU . . . -87.44 -61.4 1.73 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.141 179.833 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 4.8 mp -48.45 -51.1 11.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.131 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 17.6 mt -52.48 -50.31 62.98 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -54.95 -31.96 55.79 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.501 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.581 ' CD2' ' N ' ' A' ' 116' ' ' PHE . 0.1 OUTLIER -71.8 -60.27 2.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.849 0.357 . . . . 0.0 110.933 -179.927 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . 0.581 ' N ' ' CD2' ' A' ' 115' ' ' LEU . 10.8 m-85 -64.7 -19.77 65.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.922 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -72.11 -34.62 68.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.878 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 23.2 m -93.04 -46.66 7.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.859 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 11.3 tp -46.4 -58.01 4.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.938 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' SER . . . . . 0.558 ' HA ' ' CZ2' ' A' ' 26' ' ' TRP . 28.2 t -45.59 -43.87 12.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.877 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 78.5 mtp180 -54.45 -50.73 67.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.822 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -46.35 -25.58 0.67 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.912 -179.803 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 15.0 tptp -97.47 -38.92 9.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.942 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -56.73 -15.61 4.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.968 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 55.6 mt-30 -108.86 -36.88 6.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.909 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 7.9 tm0? -48.06 -51.15 25.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.854 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -45.27 146.27 0.97 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.888 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 25.5 tt0 -116.61 132.81 23.17 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.607 0.717 . . . . 0.0 110.852 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo . . . . . 0 C--N 1.341 0.17 0 C-N-CA 122.672 2.248 . . . . 0.0 112.305 179.983 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.6 m -50.3 -57.27 8.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.905 0.383 . . . . 0.0 110.897 -179.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.0 t -52.28 168.67 0.09 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.873 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 171.44 -166.05 39.07 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.528 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.3 m -108.09 46.02 0.98 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.899 0.38 . . . . 0.0 110.896 -179.762 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 87.1 p -85.82 148.62 25.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.851 -179.775 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -153.74 -127.61 1.19 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.469 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.475 ' N ' ' HE2' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -161.89 172.99 15.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.78 0.324 . . . . 0.0 110.915 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 22.2 mtp180 -107.56 119.84 40.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.914 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 40.4 mttm -122.56 156.64 61.02 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-O 121.606 0.717 . . . . 0.0 110.907 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 113.79 3.49 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.678 2.252 . . . . 0.0 112.331 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 8.5 p -163.3 153.61 2.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.131 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.433 HG22 ' N ' ' A' ' 14' ' ' HIS . 40.5 mm -102.28 138.88 24.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.124 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.433 ' N ' HG22 ' A' ' 13' ' ' ILE . 86.8 m-70 -115.19 79.92 1.35 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.834 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.404 ' O ' ' C ' ' A' ' 16' ' ' LEU . . . -44.02 167.51 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.501 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.404 ' C ' ' O ' ' A' ' 15' ' ' GLY . 69.3 mt -38.1 -61.22 0.68 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.753 0.311 . . . . 0.0 110.921 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -51.42 -37.48 48.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.916 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.417 ' HB2' ' C ' ' A' ' 14' ' ' HIS . 1.6 m-20 -70.74 -34.94 72.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.852 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -61.43 -43.13 99.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.954 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 22.1 tttt -44.63 -23.16 0.11 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.924 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 4.3 tpt180 -86.4 -45.71 10.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.867 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.402 HD13 ' CB ' ' A' ' 14' ' ' HIS . 50.7 mt -56.23 -46.7 81.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.114 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.429 ' CD1' ' HB3' ' A' ' 116' ' ' PHE . 24.1 m-85 -65.57 -31.59 72.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.972 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.481 ' O ' ' ND2' ' A' ' 28' ' ' ASN . 54.9 m -62.53 -47.47 83.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.128 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 43.2 t0 -65.15 -36.51 84.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 64.6 t90 -56.57 -59.0 5.65 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.925 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.29 -47.71 84.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.135 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.481 ' ND2' ' O ' ' A' ' 24' ' ' THR . 1.1 m-80 -38.1 -35.71 0.17 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -62.42 -57.45 11.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.842 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.525 ' CE1' ' HA ' ' A' ' 60' ' ' VAL . 87.2 m-85 -54.21 -32.93 57.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.943 -179.828 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.486 HD21 ' CG ' ' A' ' 36' ' ' HIS . 12.6 mt -71.67 -53.99 11.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.945 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -57.25 -54.62 44.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.115 179.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.33 -34.89 35.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.912 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.4 t -75.36 -21.78 58.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.862 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.43 ' O ' ' C ' ' A' ' 36' ' ' HIS . . . 118.78 -30.06 6.06 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.449 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.486 ' CG ' HD21 ' A' ' 31' ' ' LEU . 5.5 m-70 -35.23 128.94 0.52 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.816 0.341 . . . . 0.0 110.887 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 4.2 mmmm -86.76 -28.76 22.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.883 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.417 ' HG2' ' N ' ' A' ' 39' ' ' LEU . 27.3 ttm180 -85.59 155.62 21.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.867 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.417 ' N ' ' HG2' ' A' ' 38' ' ' ARG . 34.7 mt -125.55 -175.39 3.31 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.937 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 73.2 mt -97.13 113.09 30.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.121 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 11.7 mmm-85 -88.49 -61.11 1.78 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.904 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.486 ' O ' ' N ' ' A' ' 46' ' ' ASP . 1.8 m-20 -113.78 100.07 8.17 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.527 HD12 ' CE2' ' A' ' 116' ' ' PHE . 11.8 tp -49.91 -38.26 35.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.907 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.419 ' CD ' HD12 ' A' ' 109' ' ' LEU . 57.4 mt-30 -72.81 -22.43 60.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.921 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -113.5 9.49 18.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.912 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.486 ' N ' ' O ' ' A' ' 42' ' ' ASP . 1.4 m-20 -102.51 -33.74 9.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.847 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 27.2 m -101.15 29.06 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.112 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 33.9 p -87.35 -35.6 18.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.175 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -90.15 -18.29 26.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.856 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 79.33 -14.4 16.41 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.494 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 63.5 t -68.11 -70.12 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.823 0.344 . . . . 0.0 111.162 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.6 tt -51.04 -30.69 16.26 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.948 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.8 tp -61.26 -50.36 73.34 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.423 ' O ' ' N ' ' A' ' 56' ' ' ILE . . . -61.78 -46.52 89.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.074 179.827 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.443 ' NE2' ' CE1' ' A' ' 36' ' ' HIS . 14.0 mt-30 -38.06 -31.09 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.942 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.423 ' N ' ' O ' ' A' ' 54' ' ' ALA . 12.9 mt -88.97 -56.04 5.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.124 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.442 ' HA ' ' CG1' ' A' ' 60' ' ' VAL . 60.5 mt -43.53 -63.43 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.133 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.503 ' O ' ' N ' ' A' ' 62' ' ' ASN . 32.1 mt-30 -39.43 -41.89 1.02 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 59.4 t -69.68 -67.4 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.09 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.525 ' HA ' ' CE1' ' A' ' 30' ' ' TYR . 3.5 p -49.68 -22.63 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.146 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -101.83 -22.56 14.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.063 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.503 ' N ' ' O ' ' A' ' 58' ' ' GLN . 4.4 m120 69.03 39.71 1.73 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.894 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -149.66 160.24 43.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.898 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 15.8 tttt -109.1 138.04 46.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.907 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 13.9 mt -93.97 115.01 31.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.139 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -84.53 0.42 49.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.918 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -107.87 37.8 2.35 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.921 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 36.7 mm -114.12 122.96 69.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.167 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.411 ' ND2' ' HA ' ' A' ' 72' ' ' PRO . 25.2 t-20 -54.23 -59.27 4.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 104.18 -54.68 0.64 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.465 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 52.0 t -124.12 77.2 59.78 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.614 0.721 . . . . 0.0 110.905 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.411 ' HA ' ' ND2' ' A' ' 69' ' ' ASN . 54.0 Cg_endo -69.72 98.62 0.69 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.647 2.231 . . . . 0.0 112.398 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 58.1 mmtt -91.49 -52.08 4.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.895 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.43 ' HB2' ' CG ' ' A' ' 77' ' ' GLN . 2.5 m120 -63.79 168.06 5.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.918 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 7.8 tmm_? -75.05 -36.0 61.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.923 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 59.0 p -84.65 -31.48 24.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.881 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.43 ' CG ' ' HB2' ' A' ' 74' ' ' ASN . 13.2 mm-40 -47.96 -40.16 21.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.952 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 20.6 mtt -59.08 -43.07 91.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.892 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 32.0 mm -47.9 -53.16 5.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.163 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 64.0 mt-10 -47.62 -51.98 19.51 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -41.8 -72.61 0.06 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.855 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 20.8 mt -49.57 -40.53 15.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.104 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -56.72 -45.24 82.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -51.96 -50.93 60.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.068 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 41.4 m -56.95 -42.95 81.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.871 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 63.9 mt -59.68 -43.68 93.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 67.5 m-80 -70.81 -39.64 72.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.885 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 10.8 t80 -66.2 -42.81 88.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.868 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 27.2 mt -68.13 -40.74 82.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.947 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -54.45 -41.52 69.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.081 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -61.27 -21.6 64.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.107 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 35.0 mmtt -87.77 -13.31 42.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.859 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 108.49 29.35 4.22 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.46 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.454 ' CD1' ' HB2' ' A' ' 122' ' ' TYR . 71.3 mt -111.8 123.06 67.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.829 0.347 . . . . 0.0 111.108 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 10.3 t30 -61.21 132.47 53.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.892 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.441 ' O ' ' C ' ' A' ' 97' ' ' GLN . 21.4 pt -128.56 -29.31 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.101 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.441 ' C ' ' O ' ' A' ' 96' ' ' ILE . 33.9 mm-40 -34.51 -51.78 0.48 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.933 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -57.93 -44.7 94.34 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.499 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.418 ' N ' ' O ' ' A' ' 96' ' ' ILE . 52.4 mt -64.46 146.59 54.29 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.829 0.347 . . . . 0.0 110.96 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 4.0 m -128.94 110.74 12.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.863 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -44.11 -50.78 8.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.088 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -52.42 -58.2 7.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.846 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 22.3 mm-40 -52.93 -46.95 68.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 32.3 mt -58.89 -41.64 83.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.143 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 14.7 ttt-85 -66.87 -24.69 66.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 34.1 m-20 -83.42 -21.91 32.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.869 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 104.84 8.2 37.32 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.473 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -54.23 99.35 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.88 0.372 . . . . 0.0 110.893 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.419 HD12 ' CD ' ' A' ' 44' ' ' GLN . 12.3 tp -38.47 -58.64 1.0 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.918 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 2.3 mptt -39.35 -44.17 1.28 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.849 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -66.84 -58.55 4.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.088 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.463 ' CG2' ' HG ' ' A' ' 43' ' ' LEU . 5.3 mp -52.47 -63.33 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.144 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 19.0 mt -47.08 -48.06 22.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -57.39 -34.62 68.78 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.484 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.589 ' CD2' ' N ' ' A' ' 116' ' ' PHE . 0.2 OUTLIER -69.24 -62.53 1.34 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.848 0.356 . . . . 0.0 110.909 -179.956 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . 0.589 ' N ' ' CD2' ' A' ' 115' ' ' LEU . 10.6 m-85 -59.52 -11.17 4.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.86 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . 0.492 ' CD1' ' C ' ' A' ' 117' ' ' PHE . 3.3 t80 -85.38 -34.32 21.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.878 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 1.5 p -92.94 -29.43 15.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.885 -179.8 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 11.9 tp -65.46 -54.11 33.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.907 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 29.9 p -50.1 -27.62 5.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 44.8 mtp180 -64.29 -50.4 68.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.865 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . 0.454 ' HB2' ' CD1' ' A' ' 94' ' ' ILE . 9.8 t80 -40.22 -55.63 2.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.931 -179.851 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . 0.433 ' O ' ' C ' ' A' ' 124' ' ' GLN . 14.5 tptp -70.4 -54.06 13.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.869 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . 0.433 ' C ' ' O ' ' A' ' 123' ' ' LYS . 33.0 mt-30 -35.99 -54.91 0.77 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.874 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . 0.444 ' O ' ' N ' ' A' ' 127' ' ' GLN . 64.8 tp60 -48.05 -47.86 33.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.942 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 21.0 mt-30 -62.86 75.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.837 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . 0.444 ' N ' ' O ' ' A' ' 125' ' ' GLN . 82.1 mt-30 -95.54 117.18 29.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 2.7 tp-100 -83.75 132.83 47.7 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.585 0.707 . . . . 0.0 110.928 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.231 0.17 0 C-N-CA 122.701 2.268 . . . . 0.0 112.329 -179.978 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.5 p -137.9 124.08 20.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.946 0.403 . . . . 0.0 110.815 -179.758 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.2 m -102.84 135.04 45.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.91 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -177.41 -171.01 40.47 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.448 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 t -157.78 119.15 3.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.876 0.37 . . . . 0.0 110.863 -179.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.9 t -90.37 -51.86 5.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.844 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 129.22 97.03 0.83 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.45 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.6 mptt -96.55 140.53 31.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.812 0.339 . . . . 0.0 110.85 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 10.4 ptm180 -86.18 17.5 3.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.857 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 23.9 mttp -87.77 153.83 52.69 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.602 0.715 . . . . 0.0 110.907 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 124.79 11.46 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.699 2.266 . . . . 0.0 112.37 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 58.9 t -60.12 127.63 19.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.108 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.432 HG22 ' N ' ' A' ' 14' ' ' HIS . 6.0 mm -110.83 150.21 13.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.159 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.432 ' N ' HG22 ' A' ' 13' ' ' ILE . 4.9 m80 -119.52 53.75 1.03 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.496 ' O ' ' N ' ' A' ' 18' ' ' ASP . . . -69.24 151.09 50.8 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.473 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 88.8 mt -39.1 -33.35 0.12 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.764 0.316 . . . . 0.0 110.947 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -81.62 -37.56 27.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.925 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.496 ' N ' ' O ' ' A' ' 15' ' ' GLY . 6.7 m-20 -67.78 -44.91 76.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.866 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 15.5 mt-30 -56.85 -38.27 72.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 28.2 tttt -52.02 -27.48 13.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.846 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 8.0 tpp85 -89.04 -46.51 8.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.908 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 92.7 mt -49.33 -50.24 16.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.183 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.519 ' CG ' ' HB3' ' A' ' 116' ' ' PHE . 23.8 m-85 -63.57 -39.12 93.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.886 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.495 ' O ' ' ND2' ' A' ' 28' ' ' ASN . 90.1 m -54.28 -44.82 72.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.112 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -69.15 -40.35 78.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 59.1 t90 -53.42 -51.04 63.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.93 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.469 ' CB ' HD12 ' A' ' 56' ' ' ILE . . . -68.19 -41.74 80.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.108 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.495 ' ND2' ' O ' ' A' ' 24' ' ' THR . 1.4 m-80 -45.73 -31.93 2.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 24.1 t60 -69.89 -40.12 75.84 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.857 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 60.8 m-85 -73.79 -25.84 60.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.917 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 19.8 mt -84.56 -42.41 15.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.956 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -70.26 -34.49 72.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.105 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.6 ptmm? -68.62 -36.77 79.08 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.869 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.6 t -83.23 20.11 1.35 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.834 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 53.54 61.46 7.01 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.463 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.416 ' CE1' HE22 ' A' ' 55' ' ' GLN . 12.4 t-80 -107.79 125.18 51.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.914 0.387 . . . . 0.0 110.832 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.93 47.82 1.15 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 18.7 ttt180 -167.3 148.84 5.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.87 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 29.3 mt -127.72 -177.51 4.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.938 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 65.5 mt -106.14 114.92 46.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.099 179.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 67.3 mtt180 -95.77 -58.72 2.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.494 ' O ' ' N ' ' A' ' 46' ' ' ASP . 0.4 OUTLIER -113.42 101.38 9.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.891 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.552 HD13 ' CE2' ' A' ' 116' ' ' PHE . 12.7 tp -50.93 -38.65 51.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.911 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.456 ' NE2' HD11 ' A' ' 109' ' ' LEU . 30.0 mt-30 -68.8 -38.94 80.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.9 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 10.9 mt-30 -99.11 10.9 40.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.946 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.494 ' N ' ' O ' ' A' ' 42' ' ' ASP . 2.8 m-20 -101.33 -28.31 12.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 23.4 m -110.67 34.55 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.146 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 22.9 p -89.39 -34.83 16.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.104 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -96.49 -16.76 20.96 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.835 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 79.83 -14.52 18.94 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.48 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 97.1 t -61.03 -70.54 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.877 0.37 . . . . 0.0 111.139 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.6 tt -54.17 -34.57 60.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.97 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.3 tp -58.68 -48.45 81.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.938 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.38 -39.57 94.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.075 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.416 HE22 ' CE1' ' A' ' 36' ' ' HIS . 24.2 mt-30 -46.6 -23.95 0.47 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.924 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.469 HD12 ' CB ' ' A' ' 27' ' ' ALA . 10.6 mt -95.12 -53.39 8.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.104 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 67.2 mt -48.58 -51.77 10.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.151 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -56.54 -22.45 33.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 85.6 t -88.08 -59.74 2.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.103 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 6.3 p -59.31 -27.08 35.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.135 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -99.24 -14.17 19.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.142 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 8.5 m120 58.63 48.15 12.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.936 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -147.06 160.56 42.25 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 19.7 ttpt -110.38 130.09 55.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.917 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.438 HG12 ' CD2' ' A' ' 88' ' ' PHE . 31.8 mt -94.64 103.16 14.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.138 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -72.94 -13.27 61.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.452 ' O ' ' CB ' ' A' ' 84' ' ' ALA . 28.9 m-20 -92.11 36.16 0.98 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.844 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.436 HG12 ' CG2' ' A' ' 65' ' ' ILE . 35.4 mm -114.06 132.5 62.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.085 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.46 ' ND2' ' HA ' ' A' ' 72' ' ' PRO . 51.9 t30 -64.14 -52.47 58.92 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.918 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 93.63 -49.43 2.32 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.478 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 36.2 m -134.08 82.91 47.03 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.602 0.715 . . . . 0.0 110.874 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.46 ' HA ' ' ND2' ' A' ' 69' ' ' ASN . 54.0 Cg_endo -69.74 138.63 38.34 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.703 2.269 . . . . 0.0 112.38 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 68.9 mttt -115.57 -47.14 2.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.925 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.416 ' O ' ' C ' ' A' ' 75' ' ' ARG . 28.7 t-20 -101.07 139.98 36.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.873 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.416 ' C ' ' O ' ' A' ' 74' ' ' ASN . 5.4 mmt-85 -35.73 -46.65 0.45 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.847 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.448 ' O ' ' N ' ' A' ' 79' ' ' ILE . 9.7 p -60.61 -48.31 82.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.859 -179.779 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.412 ' N ' ' O ' ' A' ' 74' ' ' ASN . 15.2 mm100 -43.51 -22.84 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.932 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.413 ' N ' ' O ' ' A' ' 76' ' ' SER . 8.7 mtt -79.83 -38.14 33.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.857 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.455 ' CD1' ' HD3' ' A' ' 105' ' ' ARG . 3.5 mm -49.67 -50.28 18.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.107 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -54.35 -53.4 54.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.864 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -40.56 -68.71 0.16 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 24.6 mt -53.64 -40.07 40.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.163 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -54.65 -51.99 63.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.828 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.452 ' CB ' ' O ' ' A' ' 67' ' ' ASP . . . -54.19 -44.68 71.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.095 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 71.9 m -59.18 -39.4 82.4 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.878 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 87.9 mt -64.62 -55.47 20.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 70.0 m-80 -59.77 -31.12 69.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.597 ' CD1' ' C ' ' A' ' 88' ' ' PHE . 0.5 OUTLIER -71.84 -40.68 68.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.896 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.405 HD22 ' CD1' ' A' ' 94' ' ' ILE . 57.8 mt -68.41 -40.07 81.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.92 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -54.7 -37.68 66.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.069 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -65.29 -20.05 66.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.071 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.494 ' HB3' ' CE1' ' A' ' 122' ' ' TYR . 41.5 mmtt -90.18 -17.41 27.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.881 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 111.54 37.21 1.63 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.489 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.444 ' CG2' ' OG ' ' A' ' 118' ' ' SER . 71.0 mt -120.04 135.21 61.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.838 0.351 . . . . 0.0 111.109 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -71.62 129.52 38.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.443 ' O ' ' C ' ' A' ' 97' ' ' GLN . 37.2 pt -128.32 -28.65 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.145 179.856 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.443 ' C ' ' O ' ' A' ' 96' ' ' ILE . 59.1 mt-30 -34.5 -51.18 0.46 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.92 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -61.85 -42.4 99.74 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.527 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.442 ' N ' ' O ' ' A' ' 96' ' ' ILE . 51.6 mt -68.4 137.44 54.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.791 0.329 . . . . 0.0 110.931 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.447 ' CB ' ' HG3' ' A' ' 103' ' ' GLU . 1.1 m -121.64 123.0 40.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.874 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -51.95 -46.53 64.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.099 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -56.71 -42.37 79.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.901 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.447 ' HG3' ' CB ' ' A' ' 100' ' ' SER . 18.0 mt-10 -71.01 -43.53 67.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.881 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 73.1 mt -63.74 -37.84 80.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.121 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.455 ' HD3' ' CD1' ' A' ' 79' ' ' ILE . 14.5 ttt-85 -67.49 -38.12 83.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.931 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 22.5 m-80 -66.57 -27.98 68.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.904 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 100.1 30.02 6.54 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.487 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . 0.479 ' O ' ' N ' ' A' ' 111' ' ' ALA . 27.8 t30 -74.17 102.91 4.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.868 0.366 . . . . 0.0 110.917 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.456 HD11 ' NE2' ' A' ' 44' ' ' GLN . 8.5 tp -35.9 -52.44 0.73 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.931 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 13.3 mmtp -51.21 -41.95 60.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.885 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . 0.479 ' N ' ' O ' ' A' ' 108' ' ' ASN . . . -68.92 -56.02 9.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.116 179.813 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.419 ' CG2' ' HG ' ' A' ' 43' ' ' LEU . 5.3 mp -53.61 -65.9 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.137 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 58.4 mt -39.16 -41.47 0.84 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.917 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -59.71 -40.16 96.19 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.463 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.579 ' CD2' ' N ' ' A' ' 116' ' ' PHE . 0.2 OUTLIER -64.57 -60.98 2.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.861 0.363 . . . . 0.0 110.904 -179.883 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . 0.579 ' N ' ' CD2' ' A' ' 115' ' ' LEU . 12.0 m-85 -63.41 -12.49 31.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.867 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . 0.486 ' CD1' ' C ' ' A' ' 117' ' ' PHE . 3.5 t80 -79.68 -36.93 36.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.842 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' SER . . . . . 0.444 ' OG ' ' CG2' ' A' ' 94' ' ' ILE . 7.9 p -93.0 -37.67 12.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.824 -179.771 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 9.4 tp -54.94 -47.95 73.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.927 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 89.2 p -56.62 -37.35 70.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.833 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 47.1 mtp85 -59.09 -46.61 87.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.862 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . 0.494 ' CE1' ' HB3' ' A' ' 92' ' ' LYS . 9.6 t80 -42.74 -56.04 3.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 -179.871 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . 0.436 ' O ' ' C ' ' A' ' 124' ' ' GLN . 11.3 tptp -74.17 -53.58 9.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.889 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . 0.436 ' C ' ' O ' ' A' ' 123' ' ' LYS . 73.3 mt-30 -34.47 -41.75 0.13 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.927 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -75.11 -54.11 7.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.908 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 18.6 mm-40 -77.49 85.54 3.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.927 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -156.12 150.18 25.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.901 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 16.0 mp0 -64.33 144.73 98.46 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.628 0.728 . . . . 0.0 110.913 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--N 1.341 0.168 0 C-N-CA 122.693 2.262 . . . . 0.0 112.372 179.99 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.454 -0.258 . . . . 0.0 112.454 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.3 p -129.13 -44.21 1.29 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.912 0.387 . . . . 0.0 110.867 -179.723 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.5 t -161.03 163.14 31.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.861 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 112.25 -120.96 5.49 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.483 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.4 m -92.16 113.27 25.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.926 0.393 . . . . 0.0 110.834 -179.763 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.9 p -106.78 -47.37 3.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.872 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 95.14 69.93 1.06 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.485 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.7 ttmp? -108.2 135.88 48.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.738 0.304 . . . . 0.0 110.91 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 15.8 ptp180 -84.76 104.47 14.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.812 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 19.2 ttmt -141.41 140.23 20.27 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.567 0.699 . . . . 0.0 110.905 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 109.16 2.24 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.617 2.211 . . . . 0.0 112.323 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 4.2 p -127.87 137.61 57.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.096 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.2 mp -89.03 -30.06 5.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.165 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.568 ' CD2' HD13 ' A' ' 22' ' ' ILE . 12.7 m-70 60.0 49.5 7.57 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.891 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.458 ' N ' ' HB2' ' A' ' 18' ' ' ASP . . . -38.08 158.13 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.498 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.455 HD21 ' CD1' ' A' ' 113' ' ' LEU . 15.3 mt -35.34 -56.66 0.62 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.761 0.315 . . . . 0.0 110.949 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.6 mp0 -62.16 -41.24 98.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.849 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.458 ' HB2' ' N ' ' A' ' 15' ' ' GLY . 1.1 m-20 -61.73 -31.33 71.49 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.833 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.462 ' CG ' ' O ' ' A' ' 14' ' ' HIS . 26.8 mt-30 -64.29 -42.24 96.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.848 -179.856 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.421 ' NZ ' ' OE1' ' A' ' 44' ' ' GLN . 47.3 tttt -46.35 -42.19 14.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.913 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 18.2 ttm-85 -64.73 -54.35 32.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.892 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.568 HD13 ' CD2' ' A' ' 14' ' ' HIS . 39.1 mt -40.97 -52.4 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.135 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 30.0 m-85 -68.59 -49.0 62.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.92 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 51.9 m -41.45 -49.16 3.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.181 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -73.32 -37.46 66.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.887 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 86.4 t90 -56.97 -42.07 79.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.94 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -71.06 -40.54 71.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.119 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.422 ' O ' ' N ' ' A' ' 31' ' ' LEU . 2.0 m-80 -49.85 -47.1 51.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.914 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -46.2 -38.0 7.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.822 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.49 ' CZ ' HG23 ' A' ' 60' ' ' VAL . 96.0 m-85 -79.54 -22.7 43.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.895 -179.847 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.505 HD21 ' CD2' ' A' ' 36' ' ' HIS . 14.2 mt -79.4 -57.24 3.8 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.887 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -57.84 -48.7 79.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.087 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.457 ' CD ' ' HA ' ' A' ' 30' ' ' TYR . 16.4 ptmt -50.35 -37.14 35.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 19.5 m -91.76 33.06 1.05 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.852 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 46.58 59.98 5.05 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.475 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.505 ' CD2' HD21 ' A' ' 31' ' ' LEU . 81.5 t60 -121.19 87.19 2.71 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.882 0.373 . . . . 0.0 110.875 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 36' ' ' HIS . 1.2 mmmm -38.25 -74.78 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.927 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 21.5 ttm180 -38.35 150.21 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.889 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 52.7 mt -131.54 -178.93 5.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.927 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 80.3 mt -99.12 117.16 43.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.155 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 55.9 mtm180 -88.43 -63.03 1.36 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.86 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.47 ' O ' ' N ' ' A' ' 45' ' ' GLN . 72.4 m-20 -114.93 98.28 6.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.855 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.595 ' CD1' ' CE2' ' A' ' 116' ' ' PHE . 16.9 tp -40.99 -25.03 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.459 ' CG ' HD13 ' A' ' 109' ' ' LEU . 26.1 mt-30 -77.14 -40.64 44.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.921 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.47 ' N ' ' O ' ' A' ' 42' ' ' ASP . 54.4 mm-40 -83.57 -47.58 11.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.922 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -48.66 -19.02 0.31 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.836 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 18.5 m -115.35 39.67 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.097 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.445 ' CG2' ' HA ' ' A' ' 45' ' ' GLN . 14.3 p -97.5 -30.24 13.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.122 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.463 ' O ' ' CB ' ' A' ' 81' ' ' ASN . 0.9 OUTLIER -104.07 -16.22 15.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.883 179.898 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 82.88 -17.17 23.18 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.536 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 93.3 t -64.74 -59.21 4.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.805 0.336 . . . . 0.0 111.131 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.2 tt -62.61 -34.03 76.2 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.957 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.4 tp -58.81 -47.25 85.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.959 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.487 ' O ' ' N ' ' A' ' 56' ' ' ILE . . . -64.59 -43.05 95.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.131 179.761 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.488 HE22 ' CE1' ' A' ' 36' ' ' HIS . 20.0 mt-30 -36.69 -29.57 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.915 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.487 ' N ' ' O ' ' A' ' 54' ' ' ALA . 4.8 mp -92.3 -50.89 12.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.144 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 72.7 mt -50.47 -55.31 6.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.139 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 -52.33 -31.81 35.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.984 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 76.7 t -76.42 -68.45 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.126 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.49 HG23 ' CZ ' ' A' ' 30' ' ' TYR . 11.9 p -51.68 -31.63 13.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.082 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.465 ' N ' HG12 ' A' ' 60' ' ' VAL . . . -89.77 -15.14 33.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.134 179.835 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 72.9 m-20 59.46 33.6 22.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.837 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -137.58 162.67 33.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.89 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 18.5 ttpp -111.27 137.06 49.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.89 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.458 ' HB ' ' CG1' ' A' ' 68' ' ' ILE . 18.2 mt -97.25 117.39 41.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.15 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -81.83 -18.19 44.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.465 ' CB ' ' HB1' ' A' ' 84' ' ' ALA . 11.8 m-20 -86.82 36.74 0.73 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.855 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.458 ' CG1' ' HB ' ' A' ' 65' ' ' ILE . 36.3 mm -113.35 103.35 15.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.119 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 64.3 t30 -40.47 -47.34 2.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.855 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 99.54 -57.82 0.84 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.524 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 6.9 t -130.64 82.4 64.92 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.595 0.712 . . . . 0.0 110.907 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 119.25 6.23 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.674 2.249 . . . . 0.0 112.356 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 37.9 mttp -105.35 -50.76 3.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.883 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.459 ' HB2' ' CG ' ' A' ' 77' ' ' GLN . 10.4 m-20 -71.74 165.6 23.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.871 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -65.63 -48.22 72.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.907 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 3.9 m -71.61 -34.13 69.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.896 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.459 ' CG ' ' HB2' ' A' ' 74' ' ' ASN . 6.6 mm100 -42.91 -49.53 5.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.952 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 13.0 mtt -53.06 -47.73 68.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.861 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 49.4 mm -38.35 -62.06 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.153 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.422 ' O ' ' C ' ' A' ' 81' ' ' ASN . 11.4 mt-10 -38.48 -57.79 1.1 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.463 ' CB ' ' O ' ' A' ' 49' ' ' ASP . 2.4 m120 -36.56 -70.18 0.1 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.864 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 27.8 mt -52.4 -40.7 33.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.144 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -53.58 -48.11 69.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.849 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.465 ' HB1' ' CB ' ' A' ' 67' ' ' ASP . . . -52.3 -51.12 60.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.082 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 38.6 m -54.49 -45.75 73.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.927 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 60.1 mt -57.43 -53.66 55.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 70.1 m-80 -63.26 -36.25 83.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.893 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.449 ' CZ ' ' HE3' ' A' ' 92' ' ' LYS . 16.7 t80 -62.38 -45.55 92.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.412 ' CD2' HD11 ' A' ' 94' ' ' ILE . 75.6 mt -61.63 -51.61 67.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.931 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -46.81 -51.95 15.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.097 179.779 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -54.83 -31.68 59.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.128 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.449 ' HE3' ' CZ ' ' A' ' 88' ' ' PHE . 70.0 mmtt -76.09 -17.48 59.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.904 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 109.7 38.21 1.77 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.486 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.439 ' CD1' ' HB2' ' A' ' 122' ' ' TYR . 70.3 mt -122.29 123.01 67.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.784 0.326 . . . . 0.0 111.144 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 -66.32 115.5 6.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 32.0 pt -108.89 -25.94 3.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.116 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 13.5 mt-30 -37.85 116.46 0.5 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.937 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 126.38 -36.54 2.66 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.514 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 71.5 mt -65.42 176.31 1.46 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.816 0.341 . . . . 0.0 110.914 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 18.1 m -152.41 107.87 3.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.856 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -47.6 -43.79 25.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.089 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -57.98 -54.42 47.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.927 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 38.1 mm-40 -51.91 -46.32 64.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.888 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 23.6 mt -57.84 -43.77 84.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.135 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 16.0 ttt-85 -63.59 -23.36 67.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.846 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 -85.19 -18.68 33.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 91.78 33.24 7.99 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.535 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . 0.404 ' O ' ' N ' ' A' ' 111' ' ' ALA . 25.4 t-20 -77.45 97.91 5.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.83 0.348 . . . . 0.0 110.874 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.459 HD13 ' CG ' ' A' ' 44' ' ' GLN . 9.8 tp -37.09 -63.26 0.44 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.926 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 2.8 mmmp? -40.15 -38.83 0.81 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 179.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . 0.404 ' N ' ' O ' ' A' ' 108' ' ' ASN . . . -71.26 -63.75 1.05 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.115 179.845 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.43 ' O ' ' C ' ' A' ' 113' ' ' LEU . 5.2 mp -47.83 -63.21 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.14 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.455 ' CD1' HD21 ' A' ' 16' ' ' LEU . 67.2 mt -35.3 -49.54 0.51 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.938 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -54.29 -52.47 44.04 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.487 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.52 ' CD2' ' CD2' ' A' ' 116' ' ' PHE . 0.1 OUTLIER -52.23 -55.49 20.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.849 0.357 . . . . 0.0 110.917 -179.936 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . 0.595 ' CE2' ' CD1' ' A' ' 43' ' ' LEU . 10.6 m-85 -66.73 -19.21 65.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 12.4 t80 -73.84 -34.22 64.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.868 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 33.5 p -92.77 -40.54 10.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.867 -179.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 15.9 tp -57.44 -48.27 79.59 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.897 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 6.4 t -52.79 -37.0 59.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.841 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 51.6 mtp180 -61.94 -50.39 72.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.841 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . 0.588 ' CD1' ' C ' ' A' ' 122' ' ' TYR . 0.1 OUTLIER -43.98 -33.59 1.45 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 -179.853 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . 0.428 ' HD3' ' CG2' ' A' ' 60' ' ' VAL . 15.9 tptp -73.93 -48.29 31.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.927 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -76.58 6.96 5.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.926 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -104.01 -49.75 3.55 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.888 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -60.9 -12.27 10.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.898 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -58.83 154.11 15.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.943 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 6.2 pm0 -87.25 143.95 35.33 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.568 0.699 . . . . 0.0 110.949 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--N 1.341 0.175 0 C-N-CA 122.685 2.256 . . . . 0.0 112.38 179.979 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 40.3 m -110.69 84.02 1.86 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.91 0.386 . . . . 0.0 110.87 -179.752 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.0 t -114.41 160.49 19.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.825 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -166.47 47.52 0.26 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.521 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.2 m -125.7 139.76 53.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.838 0.352 . . . . 0.0 110.892 -179.713 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.1 m -154.83 176.96 11.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.824 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 137.45 -102.28 0.37 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.502 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 75.6 mttt -109.72 136.2 49.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.762 0.315 . . . . 0.0 110.898 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 53.1 mtt-85 -135.18 107.52 7.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.892 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.9 mtmp? -61.52 147.6 87.86 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.576 0.703 . . . . 0.0 110.94 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 128.6 16.3 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.711 2.274 . . . . 0.0 112.322 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.4 p -137.13 148.11 26.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.102 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 4.0 mt -105.56 142.59 18.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.109 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.451 ' CD2' HD12 ' A' ' 22' ' ' ILE . 23.6 m80 -113.32 85.33 2.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.863 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.456 ' O ' ' N ' ' A' ' 18' ' ' ASP . . . -47.89 160.42 0.5 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.494 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.43 ' C ' ' O ' ' A' ' 15' ' ' GLY . 71.4 mt -35.71 -50.74 0.64 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.784 0.326 . . . . 0.0 110.893 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -62.84 -42.85 99.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.456 ' N ' ' O ' ' A' ' 15' ' ' GLY . 6.8 m-20 -60.81 -38.64 86.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.87 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 44.3 mt-30 -57.49 -45.52 84.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.917 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 63.7 tttt -42.44 -48.41 5.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.906 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.09 -54.17 45.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.893 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.451 HD12 ' CD2' ' A' ' 14' ' ' HIS . 86.7 mt -41.58 -52.69 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.119 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 27.3 m-85 -68.57 -49.51 58.88 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.869 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 55.4 m -42.98 -45.36 5.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.168 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -73.78 -38.09 64.76 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.829 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 89.1 t90 -56.82 -44.73 82.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.918 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -74.56 -45.5 44.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.086 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 34.7 m-20 -46.24 -40.79 12.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.859 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -53.05 -41.34 64.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.854 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.503 ' CZ ' HG22 ' A' ' 60' ' ' VAL . 95.7 m-85 -74.24 -21.58 59.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.893 -179.817 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.41 ' O ' ' CB ' ' A' ' 36' ' ' HIS . 18.7 mt -83.84 -36.84 23.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.948 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -77.82 -25.37 48.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.082 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 13.7 ptmt -75.09 -34.56 61.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.912 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.7 t -91.87 27.24 2.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 51.59 66.4 2.57 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.522 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.41 ' CB ' ' O ' ' A' ' 31' ' ' LEU . 6.7 t-80 -120.66 95.32 4.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.905 0.383 . . . . 0.0 110.848 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 31.4 mtpt -43.19 -61.29 1.37 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.443 ' HG2' ' N ' ' A' ' 39' ' ' LEU . 6.0 ttt180 -58.16 144.05 41.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.879 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.443 ' N ' ' HG2' ' A' ' 38' ' ' ARG . 37.3 mt -123.56 -175.74 3.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.907 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 91.7 mt -100.93 120.58 50.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.098 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 4.9 mpt_? -94.46 -64.77 1.04 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.855 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.455 ' O ' ' N ' ' A' ' 45' ' ' GLN . 0.9 OUTLIER -112.53 98.33 7.18 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.848 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 13.0 tp -42.23 -23.48 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.92 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.461 ' CG ' HD12 ' A' ' 109' ' ' LEU . 62.7 mt-30 -77.45 -40.12 44.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.902 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.455 ' N ' ' O ' ' A' ' 42' ' ' ASP . 27.5 mt-30 -86.17 -48.24 8.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.936 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -42.32 -23.64 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.437 ' N ' ' O ' ' A' ' 45' ' ' GLN . 26.2 m -114.76 42.74 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.146 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.448 ' CG2' ' HA ' ' A' ' 45' ' ' GLN . 3.1 p -91.46 -35.72 14.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.165 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -106.22 -12.23 15.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.873 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 86.9 -25.4 7.6 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.47 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 66.1 t -50.58 -70.35 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.882 0.372 . . . . 0.0 111.143 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.421 ' O ' ' CD1' ' A' ' 56' ' ' ILE . 1.8 tt -53.06 -35.88 60.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.96 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.7 tp -59.75 -47.01 87.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.932 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -67.62 -34.6 77.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.113 179.784 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -46.7 -27.44 1.18 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.951 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.421 ' CD1' ' O ' ' A' ' 52' ' ' LEU . 5.3 mp -94.57 -58.66 3.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.185 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.402 ' C ' ' O ' ' A' ' 56' ' ' ILE . 59.3 mt -37.84 -50.92 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.123 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.414 ' O ' ' N ' ' A' ' 62' ' ' ASN . 37.5 mt-30 -54.64 -43.6 72.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.929 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.402 ' N ' ' O ' ' A' ' 56' ' ' ILE . 65.8 t -68.18 -64.13 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.111 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.503 HG22 ' CZ ' ' A' ' 30' ' ' TYR . 8.1 p -52.89 -32.64 18.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.147 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -89.55 -19.42 25.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.109 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.414 ' N ' ' O ' ' A' ' 58' ' ' GLN . 6.9 m120 66.64 37.36 4.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.905 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -143.88 166.94 23.53 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 4.4 ttpp -117.17 131.43 56.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.89 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.418 ' HB ' ' CG1' ' A' ' 68' ' ' ILE . 22.4 mt -91.98 117.47 35.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.132 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -82.31 -15.18 53.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.921 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -89.14 35.43 0.8 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.87 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.418 ' CG1' ' HB ' ' A' ' 65' ' ' ILE . 34.9 mm -113.74 111.09 34.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.149 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 57.4 t30 -48.54 -57.1 6.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.856 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 115.89 -59.92 0.43 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.482 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 92.0 m -134.17 72.14 71.89 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.631 0.729 . . . . 0.0 110.9 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 132.78 24.07 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.71 2.274 . . . . 0.0 112.334 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.453 ' HG2' ' N ' ' A' ' 74' ' ' ASN . 0.0 OUTLIER -123.67 -34.13 3.09 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.932 179.889 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.453 ' N ' ' HG2' ' A' ' 73' ' ' LYS . 2.5 t30 -68.9 170.78 9.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.931 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 4.2 tpt180 -61.81 -50.75 71.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.458 ' O ' ' N ' ' A' ' 79' ' ' ILE . 5.1 p -81.74 -31.08 32.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.872 -179.807 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 22.7 mm-40 -40.88 -38.43 0.95 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.954 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.437 ' SD ' ' NH1' ' A' ' 105' ' ' ARG . 20.1 mtt -77.61 -34.84 53.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.884 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.458 ' N ' ' O ' ' A' ' 76' ' ' SER . 21.6 mm -56.55 -54.39 29.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.145 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -42.79 -56.95 2.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.895 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 7.0 m-20 -39.51 -71.26 0.08 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 28.9 mt -47.92 -37.63 6.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.121 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -59.05 -49.53 77.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -51.79 -45.72 63.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.101 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 63.6 m -59.36 -43.17 92.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.416 ' CD2' HD13 ' A' ' 99' ' ' LEU . 81.8 mt -63.29 -45.02 93.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.918 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 70.4 m-80 -69.81 -35.79 75.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.853 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 6.1 t80 -67.67 -40.49 84.45 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.857 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 89.8 mt -69.26 -42.85 75.03 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.909 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -52.62 -46.51 67.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.119 179.766 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -56.17 -18.84 11.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.131 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 36.2 mmtt -88.63 -17.48 30.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 112.64 29.08 3.24 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.477 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.404 HG23 ' N ' ' A' ' 95' ' ' ASN . 71.6 mt -112.88 137.81 44.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.856 0.36 . . . . 0.0 111.101 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . 0.404 ' N ' HG23 ' A' ' 94' ' ' ILE . 22.7 t-20 -73.55 124.83 26.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.45 ' O ' ' C ' ' A' ' 97' ' ' GLN . 32.6 pt -123.0 -31.35 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.187 179.875 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.45 ' C ' ' O ' ' A' ' 96' ' ' ILE . 29.9 mm-40 -34.65 -51.37 0.48 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.902 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -56.25 -45.66 87.8 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.481 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.416 HD13 ' CD2' ' A' ' 86' ' ' LEU . 43.9 mt -58.34 170.09 0.77 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.799 0.333 . . . . 0.0 110.934 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 12.8 m -149.28 112.32 4.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.844 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -47.74 -52.13 19.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.055 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -50.0 -57.43 7.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.863 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -49.96 -55.91 12.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.857 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 27.8 mt -48.18 -44.86 12.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.137 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.437 ' NH1' ' SD ' ' A' ' 78' ' ' MET . 3.6 ttt85 -59.48 -33.32 71.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.87 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 37.6 m-20 -75.25 -16.85 60.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.952 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 87.24 26.96 29.33 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.517 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 42.2 t30 -71.39 100.39 2.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.893 0.377 . . . . 0.0 110.877 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.461 HD12 ' CG ' ' A' ' 44' ' ' GLN . 8.6 tp -37.38 -61.54 0.58 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.931 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.418 ' C ' ' O ' ' A' ' 109' ' ' LEU . 11.3 mmtp -36.81 -40.25 0.26 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.915 179.807 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -73.64 -68.33 0.52 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.1 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 5.2 mp -41.8 -54.26 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.151 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 92.8 mt -45.73 -51.38 12.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.935 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -54.51 -47.11 71.27 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.519 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.583 ' CD2' ' N ' ' A' ' 116' ' ' PHE . 0.1 OUTLIER -55.78 -60.6 3.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.839 0.352 . . . . 0.0 110.935 -179.948 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . 0.583 ' N ' ' CD2' ' A' ' 115' ' ' LEU . 11.4 m-85 -63.12 -25.12 68.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . 0.48 ' CD1' ' C ' ' A' ' 117' ' ' PHE . 3.1 t80 -71.1 -29.4 65.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.904 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 6.8 p -95.0 -40.46 9.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.829 -179.775 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 15.9 tp -59.51 -49.46 77.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.942 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 58.9 p -51.72 -30.5 22.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 25.5 mtt-85 -71.55 -41.9 68.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.847 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -47.48 -48.39 27.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.938 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 12.3 tptp -76.36 -59.09 2.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.943 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -49.63 124.35 9.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.906 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 71.72 36.27 1.26 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.921 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 19.1 tp60 -121.52 49.36 1.54 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.938 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -74.75 99.97 3.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 22.8 mm-40 -40.62 144.29 0.61 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.609 0.719 . . . . 0.0 110.914 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 C--N 1.341 0.151 0 C-N-CA 122.757 2.305 . . . . 0.0 112.326 179.999 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.499 -0.241 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.3 t -44.52 143.43 1.32 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.895 0.378 . . . . 0.0 110.865 -179.731 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.3 m -47.76 157.86 0.24 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.858 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -146.73 -80.32 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.439 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.5 m -49.89 115.45 1.4 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.894 0.378 . . . . 0.0 110.832 -179.729 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 96.8 p -129.89 139.37 51.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.862 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 132.49 91.62 0.5 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.481 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.11 90.62 8.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.779 0.323 . . . . 0.0 110.931 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 57.1 mtp180 56.68 42.3 27.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.907 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 22.5 mtmm -113.39 141.48 25.92 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.575 0.702 . . . . 0.0 110.888 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 147.43 62.64 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.667 2.245 . . . . 0.0 112.359 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 10.6 p -153.59 139.33 11.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.099 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.455 HG23 ' N ' ' A' ' 14' ' ' HIS . 38.5 mm -105.07 138.33 30.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.151 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.455 ' N ' HG23 ' A' ' 13' ' ' ILE . 66.6 m80 -100.42 78.49 2.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 16' ' ' LEU . . . -47.02 168.52 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.488 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.407 ' C ' ' O ' ' A' ' 15' ' ' GLY . 65.9 mt -37.54 -55.94 1.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.745 0.307 . . . . 0.0 110.895 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -55.79 -44.01 77.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -65.68 -29.5 70.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.831 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -67.7 -47.02 70.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.92 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 24.1 tttt -40.6 -48.16 2.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.944 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 5.2 tpt180 -62.92 -56.16 19.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 96.8 mt -38.72 -49.79 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.086 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 -70.76 -37.95 73.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.898 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.5 ' O ' ' ND2' ' A' ' 28' ' ' ASN . 49.3 m -54.03 -50.29 67.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.108 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -68.19 -40.49 82.22 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.883 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 78.6 t90 -52.48 -48.68 65.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.93 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -68.3 -44.13 76.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.126 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.5 ' ND2' ' O ' ' A' ' 24' ' ' THR . 1.7 m-80 -43.89 -41.72 5.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.907 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -53.55 -47.58 69.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 85.8 m-85 -67.77 -14.59 63.08 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.902 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.503 HD23 ' CG ' ' A' ' 36' ' ' HIS . 17.5 mt -89.66 -57.45 2.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.878 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.47 -21.86 60.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.095 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 10.9 ptmt -79.03 -39.56 33.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.932 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.2 m -81.18 1.78 30.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 80.7 65.37 1.72 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.508 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.503 ' CG ' HD23 ' A' ' 31' ' ' LEU . 4.5 m-70 -117.13 148.94 41.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.838 0.351 . . . . 0.0 110.887 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.8 pttp -105.71 -17.85 14.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.949 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 14.0 ttm105 -101.54 129.1 47.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.855 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.44 ' CD2' ' OD1' ' A' ' 28' ' ' ASN . 80.6 mt -109.51 171.28 7.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.935 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 95.8 mt -91.5 110.74 22.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.141 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 14.5 mtp180 -87.86 -57.45 2.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.861 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -114.74 100.09 7.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.844 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.54 HD13 ' CE2' ' A' ' 116' ' ' PHE . 12.0 tp -50.0 -21.31 1.18 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.897 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.455 ' CG ' HD12 ' A' ' 109' ' ' LEU . 35.2 mt-30 -84.5 -28.95 26.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 71.2 mt-30 -109.83 8.79 24.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.937 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.402 ' OD1' ' O ' ' A' ' 43' ' ' LEU . 0.3 OUTLIER -95.21 -35.0 12.01 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.873 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 34.5 m -101.76 29.31 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.115 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 7.6 p -83.62 -32.91 25.45 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.118 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -97.31 -16.36 20.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.851 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 78.04 -10.46 26.78 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.527 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 42.6 t -68.95 -70.6 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.927 0.394 . . . . 0.0 111.169 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.7 tt -51.71 -31.15 25.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.958 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.1 tp -62.34 -50.37 71.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.876 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.03 -46.02 92.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.145 179.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.45 ' O ' ' CG2' ' A' ' 59' ' ' VAL . 15.5 mt-30 -39.4 -39.64 0.7 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.885 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 3.6 mp -78.43 -51.04 18.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.139 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 41.9 mt -50.61 -53.11 14.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.1 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -55.08 -17.1 3.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.45 ' CG2' ' O ' ' A' ' 55' ' ' GLN . 30.2 t -93.26 -59.18 3.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.123 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 7.2 p -59.92 -24.75 30.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.155 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -100.18 -16.85 17.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.039 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 71.2 m-80 62.38 48.45 4.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.841 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -151.1 160.32 43.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 22.1 tttt -110.69 138.06 47.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.867 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.437 ' HB ' ' CG1' ' A' ' 68' ' ' ILE . 20.7 mt -100.65 115.12 41.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.138 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -78.51 -23.57 46.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.935 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.41 ' HB3' ' CB ' ' A' ' 84' ' ' ALA . 2.3 t70 -82.47 41.12 0.69 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.836 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.437 ' CG1' ' HB ' ' A' ' 65' ' ' ILE . 33.8 mm -118.03 110.32 30.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.129 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -49.66 -68.29 0.19 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.905 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 132.11 -71.12 0.51 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.484 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 74.8 m -128.19 81.46 70.43 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.548 0.69 . . . . 0.0 110.876 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 141.96 46.59 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.708 2.272 . . . . 0.0 112.318 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.462 ' HD2' ' N ' ' A' ' 73' ' ' LYS . 0.0 OUTLIER -124.43 -37.24 2.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.927 179.873 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.463 ' HB2' ' CG ' ' A' ' 77' ' ' GLN . 9.0 m-20 -77.73 -179.85 6.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 1.5 tmt_? -70.71 -55.6 8.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.493 ' O ' ' N ' ' A' ' 79' ' ' ILE . 10.5 t -71.0 -34.73 71.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.846 -179.767 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.463 ' CG ' ' HB2' ' A' ' 74' ' ' ASN . 6.1 mm-40 -40.31 -37.16 0.62 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.894 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 17.6 mtt -80.32 -32.96 37.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.907 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.493 ' N ' ' O ' ' A' ' 76' ' ' SER . 26.4 mm -52.19 -46.62 44.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.165 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.434 ' O ' ' C ' ' A' ' 81' ' ' ASN . 12.2 mt-10 -51.25 -63.7 1.05 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.882 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.434 ' C ' ' O ' ' A' ' 80' ' ' GLU . 57.2 m-80 -35.62 -72.53 0.05 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.838 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 61.2 mt -48.86 -36.6 8.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.181 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -60.85 -49.31 77.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.916 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.41 ' CB ' ' HB3' ' A' ' 67' ' ' ASP . . . -54.0 -42.91 69.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.085 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 62.4 m -61.98 -38.2 87.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 83.3 mt -66.72 -50.12 63.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.902 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 68.6 m-80 -66.37 -33.43 75.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.906 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.452 ' CD1' ' C ' ' A' ' 88' ' ' PHE . 1.4 t80 -70.84 -40.11 72.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.873 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 27.3 mt -72.03 -42.02 66.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.935 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -52.85 -38.08 61.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.058 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -66.26 -21.34 66.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.096 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 39.6 mmtt -86.54 -18.54 31.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.882 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 114.51 32.73 1.88 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.471 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.46 ' CD1' ' HB2' ' A' ' 122' ' ' TYR . 78.4 mt -117.45 123.02 71.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.854 0.359 . . . . 0.0 111.094 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 16.6 t-20 -60.37 133.39 56.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.911 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.43 HG13 ' N ' ' A' ' 97' ' ' GLN . 11.5 pt -128.03 -29.05 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.122 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.43 ' N ' HG13 ' A' ' 96' ' ' ILE . 10.1 mm100 -36.16 -52.54 0.79 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -57.36 -46.11 92.17 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.464 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 66.1 mt -60.04 164.08 4.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.798 0.332 . . . . 0.0 110.933 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 9.8 m -148.25 108.89 4.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.834 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -44.48 -49.6 9.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.129 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -52.74 -51.42 60.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.913 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -57.23 -46.47 82.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.85 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 35.8 mt -58.41 -42.7 84.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.167 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 18.5 ttt-85 -64.56 -30.5 71.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.852 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 16.5 m-20 -75.16 -26.21 58.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.891 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 100.23 18.33 22.09 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.482 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . 0.428 ' ND2' ' HB2' ' A' ' 110' ' ' LYS . 0.3 OUTLIER -67.39 104.56 1.56 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.867 0.365 . . . . 0.0 110.846 -179.844 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.455 HD12 ' CG ' ' A' ' 44' ' ' GLN . 11.6 tp -40.41 -57.63 1.74 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.428 ' HB2' ' ND2' ' A' ' 108' ' ' ASN . 57.6 mmtt -39.9 -41.03 1.1 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.931 179.801 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -73.96 -63.62 1.18 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.103 179.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.472 ' CG2' ' HG ' ' A' ' 43' ' ' LEU . 5.3 mp -47.04 -59.86 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.157 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 13.3 mt -48.16 -46.6 34.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.91 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -56.53 -39.41 84.67 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.462 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.568 ' CD2' ' N ' ' A' ' 116' ' ' PHE . 0.1 OUTLIER -60.28 -60.15 4.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.851 0.358 . . . . 0.0 110.881 -179.877 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . 0.568 ' N ' ' CD2' ' A' ' 115' ' ' LEU . 10.7 m-85 -63.63 -18.34 63.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.878 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . 0.5 ' CD1' ' C ' ' A' ' 117' ' ' PHE . 3.1 t80 -71.13 -40.3 71.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 1.6 t -88.38 -44.59 10.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.906 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 14.1 tp -51.84 -44.55 63.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.915 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 86.7 p -59.97 -21.64 61.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 57.3 mtp85 -77.47 -45.55 25.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.836 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . 0.46 ' HB2' ' CD1' ' A' ' 94' ' ' ILE . 0.5 OUTLIER -47.05 -25.51 0.85 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.931 -179.856 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 13.4 tptp -94.83 -58.57 2.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.866 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -53.3 -20.2 4.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.922 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 81.4 mt-30 -85.63 -29.75 23.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.917 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 44.8 mm-40 -87.18 44.87 1.21 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.874 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 3.1 mp0 -46.44 143.11 2.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.918 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -98.84 146.4 31.58 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.615 0.722 . . . . 0.0 110.928 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--O 1.231 0.165 0 C-N-CA 122.731 2.287 . . . . 0.0 112.358 -179.991 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.37 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 t -66.76 -56.38 10.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.873 0.368 . . . . 0.0 110.889 -179.756 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.3 t 62.27 42.22 9.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 94.94 -148.08 18.84 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.482 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 87.4 p -167.39 117.01 0.83 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.863 0.363 . . . . 0.0 110.872 -179.705 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.2 t -85.27 90.29 7.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -119.51 143.45 17.08 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.51 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 27.0 mtpp -57.25 99.79 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.774 0.321 . . . . 0.0 110.911 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.16 -63.86 1.2 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.897 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 23.0 mmtp -115.08 155.97 45.95 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.558 0.694 . . . . 0.0 110.883 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 120.46 7.24 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.689 2.259 . . . . 0.0 112.348 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.493 ' O ' ' CE1' ' A' ' 14' ' ' HIS . 14.6 p -151.55 143.37 16.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.157 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.424 ' CG2' ' N ' ' A' ' 14' ' ' HIS . 4.9 mt -72.36 153.57 7.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.143 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.493 ' CE1' ' O ' ' A' ' 12' ' ' VAL . 8.5 m80 -123.35 93.1 3.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.892 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.41 ' N ' ' HB2' ' A' ' 18' ' ' ASP . . . -52.67 178.62 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.499 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 87.5 mt -51.8 -48.88 63.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.758 0.313 . . . . 0.0 110.922 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -65.4 -30.8 71.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.845 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.41 ' HB2' ' N ' ' A' ' 15' ' ' GLY . 0.9 OUTLIER -71.48 -42.11 68.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.874 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -54.78 -39.57 68.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.926 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.464 ' N ' HD21 ' A' ' 113' ' ' LEU . 58.9 tttt -48.31 -35.33 12.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.875 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 19.5 ttp180 -78.19 -43.52 28.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.869 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.467 HD12 ' CB ' ' A' ' 14' ' ' HIS . 97.7 mt -52.3 -50.16 38.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.127 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 26.0 m-85 -68.18 -46.56 70.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.931 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 28.3 m -41.95 -50.65 4.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.118 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -67.13 -41.05 86.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.886 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 82.8 t90 -54.85 -46.12 74.61 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.905 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -72.66 -45.43 58.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.125 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 35.1 m-20 -47.65 -40.15 19.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.903 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -56.49 -39.89 74.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.855 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.475 ' CZ ' HG23 ' A' ' 60' ' ' VAL . 96.7 m-85 -73.27 -22.95 60.27 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.919 -179.846 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.487 HD21 ' CG ' ' A' ' 36' ' ' HIS . 14.4 mt -80.32 -53.59 6.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.937 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -57.43 -41.65 80.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.114 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 10.7 ptmt -58.99 -41.55 87.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.892 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 12.3 m -87.92 36.2 0.76 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.861 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 45.42 67.25 1.28 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.43 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.487 ' CG ' HD21 ' A' ' 31' ' ' LEU . 86.3 t60 -125.62 81.9 2.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.822 0.344 . . . . 0.0 110.899 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.44 ' C ' ' O ' ' A' ' 36' ' ' HIS . 29.4 mttm -34.29 -74.92 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.447 ' HG2' ' N ' ' A' ' 39' ' ' LEU . 31.5 ttm180 -42.6 152.33 0.1 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.862 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.447 ' N ' ' HG2' ' A' ' 38' ' ' ARG . 54.2 mt -130.83 -175.76 3.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.906 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 92.9 mt -102.26 119.72 50.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.114 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.439 ' N ' ' HD3' ' A' ' 41' ' ' ARG . 1.7 mpp_? -93.06 -60.75 1.72 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.852 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.438 ' O ' ' N ' ' A' ' 45' ' ' GLN . 2.7 m-20 -115.07 98.27 6.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.818 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 13.0 tp -42.37 -24.06 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.933 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.455 ' CG ' HD13 ' A' ' 109' ' ' LEU . 44.8 mt-30 -76.38 -40.71 50.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.929 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.445 ' HA ' ' CG2' ' A' ' 48' ' ' THR . 42.7 mt-30 -85.45 -48.25 9.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.889 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -43.85 -22.55 0.06 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.838 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.423 ' CG2' HG12 ' A' ' 112' ' ' ILE . 25.4 m -114.94 40.26 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.118 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.445 ' CG2' ' HA ' ' A' ' 45' ' ' GLN . 2.8 p -89.69 -34.71 16.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.148 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.452 ' O ' ' CB ' ' A' ' 81' ' ' ASN . 1.9 m-20 -105.93 -15.53 14.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.825 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 89.33 -20.88 31.47 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.504 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 99.5 t -54.78 -69.75 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.839 0.352 . . . . 0.0 111.156 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.7 tt -53.58 -32.14 49.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.91 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.9 tp -61.77 -56.49 19.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.901 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -58.75 -40.4 83.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.09 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.469 HE22 ' CE1' ' A' ' 36' ' ' HIS . 25.2 mt-30 -39.44 -36.46 0.37 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.957 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 4.5 mp -85.35 -55.35 6.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.118 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 14.4 mt -42.59 -55.67 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.113 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.422 ' O ' ' N ' ' A' ' 62' ' ' ASN . 32.1 mt-30 -52.72 -37.63 59.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.908 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 82.0 t -70.83 -67.55 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.16 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.475 HG23 ' CZ ' ' A' ' 30' ' ' TYR . 10.9 p -51.17 -30.5 9.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.094 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -90.63 -25.73 19.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.117 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.422 ' N ' ' O ' ' A' ' 58' ' ' GLN . 3.8 m120 71.74 31.94 2.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.914 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -137.03 154.45 50.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.902 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 10.4 ttpp -104.08 129.91 51.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.866 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 10.0 mt -91.05 120.61 40.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.12 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -86.71 -18.24 31.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.873 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -84.69 32.97 0.51 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.839 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 29.9 mm -114.05 125.22 71.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.115 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 53.0 t30 -66.84 -61.97 1.68 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 110.6 -64.14 0.26 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.51 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 20.7 p -120.01 83.95 31.84 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.543 0.687 . . . . 0.0 110.869 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 137.06 34.46 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.698 2.266 . . . . 0.0 112.332 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.405 ' HD2' ' N ' ' A' ' 73' ' ' LYS . 0.0 OUTLIER -111.08 -45.51 3.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.905 179.909 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -86.83 168.88 13.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.884 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.17 -25.35 61.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.835 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 82.1 p -88.85 -28.16 20.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.888 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 24.3 mm-40 -53.86 -28.19 34.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.858 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 19.8 mtt -73.08 -43.77 61.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.879 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.447 ' CD1' ' HA ' ' A' ' 102' ' ' GLU . 47.9 mm -41.93 -55.08 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.154 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -47.81 -54.59 11.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.866 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.452 ' CB ' ' O ' ' A' ' 49' ' ' ASP . 1.8 m-20 -38.5 -69.92 0.11 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.88 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 18.2 mt -54.88 -44.4 72.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.113 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -48.32 -53.82 16.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.922 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -50.89 -44.12 59.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.095 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 42.6 m -61.89 -51.46 68.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.86 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 73.8 mt -51.75 -47.53 64.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.897 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 69.4 m-80 -69.46 -42.6 74.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.908 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.531 ' CD1' ' C ' ' A' ' 88' ' ' PHE . 1.2 t80 -57.23 -37.4 72.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.908 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 22.8 mt -70.04 -56.62 6.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.896 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -43.94 -41.48 5.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.142 179.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -61.07 -40.06 92.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.117 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 63.9 mmtt -63.19 -25.41 68.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.854 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 119.89 35.89 0.87 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.496 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.465 ' CD1' ' HB2' ' A' ' 122' ' ' TYR . 31.7 mt -118.35 155.37 20.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.848 0.356 . . . . 0.0 111.14 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . 0.455 ' N ' HG22 ' A' ' 94' ' ' ILE . 26.8 t30 -93.1 113.86 26.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.878 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 38.6 pt -109.7 -20.32 6.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.137 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 11.7 mt-30 -43.78 120.94 2.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.927 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 121.69 -33.12 4.39 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.459 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 22.3 mt -68.17 175.39 3.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.828 0.347 . . . . 0.0 110.925 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 15.3 m -151.99 106.64 3.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.883 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -44.43 -48.73 9.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.154 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.447 ' HA ' ' CD1' ' A' ' 79' ' ' ILE . 29.2 tt0 -55.3 -54.64 40.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -50.74 -53.92 27.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.921 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 10.0 mt -47.53 -50.77 8.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.169 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 21.4 ttt-85 -55.27 -30.09 59.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.894 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 82.1 m-20 -81.41 -13.82 57.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 89.87 24.71 29.25 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.486 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . 0.435 ' O ' ' CD1' ' A' ' 112' ' ' ILE . 13.8 t30 -66.5 99.45 0.57 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.901 0.382 . . . . 0.0 110.885 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.455 HD13 ' CG ' ' A' ' 44' ' ' GLN . 4.2 tp -37.31 -69.9 0.11 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.896 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.441 ' N ' ' HD3' ' A' ' 110' ' ' LYS . 0.0 OUTLIER -34.54 -42.19 0.14 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.939 179.857 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -68.24 -63.33 1.08 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.08 179.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.435 ' CD1' ' O ' ' A' ' 108' ' ' ASN . 5.4 mp -52.95 -56.26 8.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.115 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.464 HD21 ' N ' ' A' ' 20' ' ' LYS . 32.8 mt -48.93 -54.26 16.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.938 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -51.73 -40.82 49.49 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.507 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.558 ' CD2' ' N ' ' A' ' 116' ' ' PHE . 0.1 OUTLIER -60.06 -58.82 6.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.864 0.364 . . . . 0.0 110.929 -179.933 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . 0.558 ' N ' ' CD2' ' A' ' 115' ' ' LEU . 10.7 m-85 -63.12 -17.86 62.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.879 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . 0.467 ' CD1' ' C ' ' A' ' 117' ' ' PHE . 4.6 t80 -73.43 -35.99 65.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.878 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 5.7 t -93.88 -35.45 12.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.845 -179.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 3.5 tp -56.87 -57.04 14.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.894 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 34.3 t -44.44 -41.22 6.1 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.876 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 11.8 mmp_? -46.93 -50.86 18.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.897 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . 0.465 ' HB2' ' CD1' ' A' ' 94' ' ' ILE . 17.1 t80 -40.94 -53.28 2.97 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.893 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 10.4 tptp -73.28 -48.75 32.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.903 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 36.5 mm-40 -50.59 128.94 21.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.917 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 72.36 33.82 1.42 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.903 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -123.43 45.42 2.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.896 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 16.5 pt20 -119.45 -40.46 2.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.921 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 -96.11 134.94 23.03 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.608 0.718 . . . . 0.0 110.935 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--N 1.342 0.195 0 C-N-CA 122.654 2.236 . . . . 0.0 112.332 -179.992 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.6 m -95.43 114.24 25.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.888 0.375 . . . . 0.0 110.848 -179.746 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.2 m -94.79 145.31 24.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.862 -179.793 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 150.68 151.97 5.7 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.496 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.0 p -82.72 157.2 23.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.852 0.358 . . . . 0.0 110.853 -179.725 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.4 m -85.03 162.02 19.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.895 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -103.8 88.57 0.63 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.468 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 21.1 mtmm 56.51 51.8 10.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.79 0.328 . . . . 0.0 110.889 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.4 ' NE ' ' HA ' ' A' ' 9' ' ' ARG . 15.1 mmp_? -104.34 152.5 22.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.919 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 22.2 mtpp -91.83 152.29 42.95 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.577 0.703 . . . . 0.0 110.893 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 98.09 0.68 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.696 2.264 . . . . 0.0 112.317 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -63.35 171.34 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.105 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.453 HG23 ' N ' ' A' ' 14' ' ' HIS . 18.6 mm -80.23 152.44 4.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.103 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.558 ' CD2' HD12 ' A' ' 22' ' ' ILE . 24.0 m-70 -127.43 77.84 1.77 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.903 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.4 ' O ' ' N ' ' A' ' 18' ' ' ASP . . . -43.47 161.52 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.469 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 61.6 mt -38.49 -52.54 1.59 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.762 0.315 . . . . 0.0 110.939 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -60.05 -40.53 89.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.917 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.4 ' N ' ' O ' ' A' ' 15' ' ' GLY . 11.1 m-20 -66.17 -28.85 69.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.852 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -67.53 -45.72 74.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.926 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 27.0 tttt -43.15 -43.77 4.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.89 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.9 tpt180 -66.13 -50.36 64.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.856 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.558 HD12 ' CD2' ' A' ' 14' ' ' HIS . 59.1 mt -51.59 -46.69 37.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.168 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -66.79 -47.05 73.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.945 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.499 ' O ' ' ND2' ' A' ' 28' ' ' ASN . 53.5 m -46.26 -45.01 16.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.125 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -71.15 -38.94 72.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.896 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . 0.567 ' CZ2' ' HA ' ' A' ' 120' ' ' SER . 76.8 t90 -54.53 -47.08 73.57 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.937 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -71.84 -42.85 66.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.11 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.499 ' ND2' ' O ' ' A' ' 24' ' ' THR . 1.8 m-80 -45.5 -43.24 11.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.855 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 2.8 t60 -54.05 -49.22 69.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 79.0 m-85 -65.47 -19.97 66.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.941 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 27.2 mt -86.35 -39.61 16.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.907 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -77.78 -27.31 50.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.117 179.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.5 ptmm? -70.54 -35.72 73.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.938 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.1 m -92.49 24.07 3.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.851 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 50.45 71.13 0.68 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.494 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.446 ' CE1' ' HB3' ' A' ' 38' ' ' ARG . 12.7 t-80 -110.18 128.76 55.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.867 0.365 . . . . 0.0 110.869 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.0 mptt -84.05 46.68 1.22 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.446 ' HB3' ' CE1' ' A' ' 36' ' ' HIS . 40.1 ttm180 -174.78 153.55 1.77 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.886 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 39.8 mt -132.6 178.96 6.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.936 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 96.7 mt -100.94 115.03 41.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.152 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 69.6 mtm180 -88.8 -60.45 1.96 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.909 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.473 ' O ' ' N ' ' A' ' 45' ' ' GLN . 1.6 m-20 -113.82 98.92 7.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.856 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.467 HD11 ' CE2' ' A' ' 116' ' ' PHE . 13.1 tp -41.27 -39.87 1.48 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.902 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -67.71 -35.71 79.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.912 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.473 ' N ' ' O ' ' A' ' 42' ' ' ASP . 30.0 mt-30 -97.78 5.31 49.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.927 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.402 ' N ' ' O ' ' A' ' 42' ' ' ASP . 0.2 OUTLIER -94.57 -30.34 14.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 179.932 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 23.8 m -108.32 33.41 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.09 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 2.5 p -85.08 -35.93 21.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.146 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -98.96 -21.34 16.31 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.829 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 89.17 -24.65 12.58 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.47 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 58.8 t -54.71 -69.85 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.815 0.341 . . . . 0.0 111.105 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.455 ' HA ' ' NE2' ' A' ' 55' ' ' GLN . 2.2 tt -50.82 -41.98 57.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.893 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.4 tp -52.52 -47.31 66.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.885 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.94 -37.37 85.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.085 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.455 ' NE2' ' HA ' ' A' ' 52' ' ' LEU . 25.7 mt-30 -48.36 -22.82 0.76 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.965 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.439 ' CD1' ' O ' ' A' ' 52' ' ' LEU . 5.3 mp -98.14 -49.0 12.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.137 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 79.7 mt -51.36 -49.3 31.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.093 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -56.77 -28.56 61.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.926 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 10.6 t -79.75 -66.25 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.143 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 6.2 p -50.29 -42.08 20.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.141 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -83.66 -12.37 56.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.093 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 57.2 t30 56.88 41.37 28.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.939 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -139.6 160.85 38.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 10.7 ttpt -110.7 131.03 55.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.403 ' CG2' HG12 ' A' ' 68' ' ' ILE . 12.4 mt -97.54 118.76 44.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.113 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -87.79 -17.71 31.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.91 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 13.9 t0 -86.49 33.77 0.64 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.868 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.403 HG12 ' CG2' ' A' ' 65' ' ' ILE . 44.6 mm -114.31 129.68 69.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.114 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 42.2 t30 -64.42 -70.89 0.2 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.857 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 106.6 -39.36 2.9 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.494 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 10.8 t -133.63 75.29 68.92 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.604 0.716 . . . . 0.0 110.891 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 140.15 41.96 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.65 2.233 . . . . 0.0 112.384 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 22.6 mmtp -130.32 -36.26 1.5 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.9 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -90.12 166.82 13.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.949 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.401 ' HD2' ' N ' ' A' ' 76' ' ' SER . 0.2 OUTLIER -70.11 -25.54 63.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 -179.957 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.461 ' O ' ' N ' ' A' ' 79' ' ' ILE . 24.4 p -91.05 -43.31 10.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.866 -179.818 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -41.11 -35.88 0.63 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.917 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 18.3 mtt -66.59 -39.06 88.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.905 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.461 ' N ' ' O ' ' A' ' 76' ' ' SER . 16.8 mm -51.31 -56.45 5.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.159 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -43.62 -54.21 5.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.865 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -40.32 -69.46 0.13 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 24.1 mt -54.14 -43.4 59.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.111 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -50.15 -56.59 10.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -49.17 -46.38 45.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.113 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 83.9 m -58.27 -39.85 80.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.886 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 45.7 mt -66.57 -45.41 79.39 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.912 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 58.0 m-80 -68.05 -34.28 76.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.888 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.46 ' CD1' ' C ' ' A' ' 88' ' ' PHE . 2.1 t80 -70.36 -42.48 71.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.855 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 30.5 mt -68.98 -40.56 78.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.913 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -55.75 -42.49 75.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.086 179.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -59.55 -25.82 64.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.143 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 38.1 mmtt -79.9 -23.43 41.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.928 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 118.61 36.61 0.9 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.505 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 61.9 mt -120.73 131.01 73.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.879 0.371 . . . . 0.0 111.093 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 3.8 t30 -67.37 128.03 34.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.881 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 33.5 pt -124.8 -23.03 2.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.097 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -40.03 -45.29 1.9 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.943 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -64.34 -43.18 97.23 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.506 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 60.1 mt -59.86 168.52 1.75 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.755 0.312 . . . . 0.0 110.96 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 22.4 m -153.85 107.46 2.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.841 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -45.48 -52.13 10.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.104 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -51.1 -49.21 61.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.878 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -61.41 -42.37 98.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 58.6 mt -61.07 -45.54 98.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.116 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 28.3 ttt-85 -61.26 -28.95 69.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.878 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 35.1 m-20 -74.81 -25.5 59.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.893 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 96.54 24.39 14.01 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.483 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 59.8 t30 -71.93 104.43 3.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.806 0.336 . . . . 0.0 110.882 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 10.8 tp -40.89 -52.49 3.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.923 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 3.8 mmmm -45.46 -40.58 8.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.954 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -70.73 -65.71 0.7 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.109 179.781 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.455 ' CG2' ' HG ' ' A' ' 43' ' ' LEU . 5.3 mp -44.36 -61.08 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.116 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.418 ' O ' ' CB ' ' A' ' 117' ' ' PHE . 63.5 mt -46.44 -39.24 10.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.974 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -64.76 -37.63 94.59 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.489 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.565 ' CD2' ' N ' ' A' ' 116' ' ' PHE . 0.1 OUTLIER -69.68 -58.84 3.44 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.922 0.391 . . . . 0.0 110.969 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . 0.565 ' N ' ' CD2' ' A' ' 115' ' ' LEU . 10.7 m-85 -63.68 -15.51 58.57 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.931 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . 0.568 ' CD1' ' C ' ' A' ' 117' ' ' PHE . 0.6 OUTLIER -77.49 -35.83 53.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.875 -179.958 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 9.9 p -93.86 -34.18 13.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.813 -179.765 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 14.0 tp -60.01 -53.48 57.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.933 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' SER . . . . . 0.567 ' HA ' ' CZ2' ' A' ' 26' ' ' TRP . 8.9 t -50.43 -32.4 17.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 36.6 mtp85 -63.07 -48.38 78.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.862 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . 0.496 ' CD1' ' C ' ' A' ' 122' ' ' TYR . 0.4 OUTLIER -39.6 -43.0 1.26 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.925 -179.87 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . 0.406 ' O ' ' N ' ' A' ' 125' ' ' GLN . 8.6 tptp -88.94 -54.76 3.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.905 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 22.0 mm-40 -43.91 -22.73 0.06 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . 0.406 ' N ' ' O ' ' A' ' 123' ' ' LYS . 18.5 mm100 -76.22 -49.11 18.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.964 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -81.05 82.81 6.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.887 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -141.92 171.09 14.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 18.1 mp0 -113.4 143.53 29.51 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.638 0.732 . . . . 0.0 110.905 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--N 1.342 0.191 0 C-N-CA 122.718 2.279 . . . . 0.0 112.306 179.986 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.0 t -120.7 -49.1 2.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.87 0.367 . . . . 0.0 110.889 -179.756 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.3 m -82.22 96.67 7.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.817 -179.793 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -103.68 175.51 23.44 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.557 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.0 t -152.14 173.9 14.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.829 0.347 . . . . 0.0 110.848 -179.724 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.2 m -98.28 135.89 39.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.842 -179.792 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -117.16 54.62 0.59 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.515 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.4 pttp -83.68 110.73 18.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.809 0.338 . . . . 0.0 110.924 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 6.9 ptp180 -90.1 37.44 0.89 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.858 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.4 mptt -115.62 142.65 29.22 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.56 0.695 . . . . 0.0 110.912 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 102.69 1.05 Allowed 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.697 2.264 . . . . 0.0 112.375 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 83.3 t -123.31 134.71 65.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.147 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.466 ' CG2' ' N ' ' A' ' 14' ' ' HIS . 3.9 mt -92.8 155.93 3.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.117 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.508 ' CG ' HD12 ' A' ' 22' ' ' ILE . 75.9 m80 -132.98 88.06 2.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.902 179.817 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.432 ' O ' ' C ' ' A' ' 16' ' ' LEU . . . -44.56 162.03 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.512 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.47 HD21 ' CD1' ' A' ' 113' ' ' LEU . 86.5 mt -35.93 -58.22 0.65 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.794 0.33 . . . . 0.0 110.931 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -55.12 -43.93 74.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.923 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.415 ' HB2' ' C ' ' A' ' 14' ' ' HIS . 6.9 m-20 -60.28 -32.71 71.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.87 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.415 ' O ' ' C ' ' A' ' 20' ' ' LYS . 31.5 mt-30 -61.29 -53.57 55.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.909 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 19' ' ' GLN . 40.9 tttt -36.16 -48.78 0.64 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.926 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.455 ' HD2' ' N ' ' A' ' 22' ' ' ILE . 1.6 tmm_? -59.35 -59.09 6.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.859 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.508 HD12 ' CG ' ' A' ' 14' ' ' HIS . 62.0 mt -41.41 -50.32 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.124 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.416 ' CD1' ' HB3' ' A' ' 116' ' ' PHE . 24.9 m-85 -67.42 -51.16 55.07 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.907 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 53.4 m -41.48 -58.38 1.92 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.12 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -60.0 -41.75 92.76 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.87 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 81.0 t90 -53.69 -44.33 69.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.92 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -75.0 -38.41 61.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.053 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -48.86 -32.36 8.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.877 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -64.38 -53.16 53.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 78.5 m-85 -60.81 -21.62 63.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.878 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 19.2 mt -86.64 -41.9 13.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.889 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -72.27 -27.65 62.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.151 179.773 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.5 ptmt -70.96 -39.65 72.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.898 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.4 t -84.8 26.64 0.81 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.895 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 49.21 58.04 8.38 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.489 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.588 ' CD2' ' HB3' ' A' ' 38' ' ' ARG . 58.5 t60 -96.72 122.75 40.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.855 0.36 . . . . 0.0 110.841 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -79.19 50.34 1.05 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.588 ' HB3' ' CD2' ' A' ' 36' ' ' HIS . 33.9 ttm180 -176.07 169.65 2.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.89 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.461 ' N ' ' HG2' ' A' ' 38' ' ' ARG . 59.5 mt -144.12 171.95 13.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.923 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 44.3 mt -94.71 112.49 27.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.129 179.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 6.7 tpm_? -84.64 -61.91 1.68 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.857 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.412 ' HA ' ' CE ' ' A' ' 20' ' ' LYS . 6.3 m-20 -114.94 100.03 7.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.849 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.542 HD11 ' CE2' ' A' ' 116' ' ' PHE . 13.8 tp -44.85 -24.29 0.2 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.868 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.411 ' CD ' HD12 ' A' ' 109' ' ' LEU . 44.2 mt-30 -78.23 -39.93 38.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.894 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.451 ' HA ' ' CG2' ' A' ' 48' ' ' THR . 96.2 mm-40 -85.69 -54.65 4.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -42.55 -23.49 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.869 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.434 ' N ' ' O ' ' A' ' 45' ' ' GLN . 11.3 m -111.05 39.54 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.125 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.451 ' CG2' ' HA ' ' A' ' 45' ' ' GLN . 7.0 p -94.04 -32.59 13.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.127 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.491 ' O ' ' ND2' ' A' ' 81' ' ' ASN . 0.1 OUTLIER -101.49 -11.97 18.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 179.909 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 78.21 -13.26 15.88 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.501 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 62.7 t -66.65 -65.11 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.851 0.358 . . . . 0.0 111.151 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 2.0 tt -56.67 -28.79 61.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.943 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.2 tp -64.83 -56.22 14.81 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.879 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -56.99 -36.52 70.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.115 179.77 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.464 HE22 ' CE1' ' A' ' 36' ' ' HIS . 19.0 mt-30 -44.18 -30.46 0.78 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 5.0 mp -90.98 -45.38 14.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.117 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 15.8 mt -54.95 -42.61 64.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.134 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 29.6 mt-30 -68.63 -17.46 64.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.922 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 78.7 t -93.79 -36.81 7.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.105 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 3.3 p -84.93 -27.4 6.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.171 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -94.89 -13.42 25.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.135 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 5.6 m120 61.0 47.08 7.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.925 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 8.4 tm-20 -152.35 161.07 43.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 21.3 ttpt -110.22 132.0 54.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.904 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 12.7 mt -94.77 102.83 14.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.119 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -74.09 -15.74 61.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -86.52 37.24 0.73 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.909 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 30.7 mm -117.62 120.75 65.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.161 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.529 ' ND2' ' CD ' ' A' ' 77' ' ' GLN . 35.9 t-20 -60.44 -50.71 72.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.872 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 101.7 -75.71 0.35 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.428 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 1.8 m -112.61 76.56 2.12 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.652 0.739 . . . . 0.0 110.899 -179.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.82 137.24 34.84 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.682 2.255 . . . . 0.0 112.308 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.26 -21.22 5.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.901 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -92.52 140.32 29.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.916 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 5.8 tpt180 -48.29 -24.99 1.36 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.879 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 65.4 p -96.87 -28.13 14.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.852 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.529 ' CD ' ' ND2' ' A' ' 69' ' ' ASN . 6.8 mm-40 -47.42 -41.1 19.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.887 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 2.1 mpt? -66.27 -46.42 77.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 47.5 mm -41.15 -51.82 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.11 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -52.41 -44.47 65.39 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.915 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.491 ' ND2' ' O ' ' A' ' 49' ' ' ASP . 3.0 m120 -47.47 -70.45 0.09 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.921 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.432 ' CG2' HD13 ' A' ' 104' ' ' ILE . 5.3 mp -50.5 -41.0 19.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.134 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -56.46 -47.15 79.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.897 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -53.25 -48.1 68.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.083 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 34.1 m -58.64 -45.06 90.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 79.2 mt -59.22 -45.31 91.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 68.9 m-80 -69.85 -38.85 76.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.468 ' CZ ' ' NZ ' ' A' ' 92' ' ' LYS . 1.3 t80 -62.56 -40.0 95.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.884 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 27.2 mt -67.6 -49.97 60.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.974 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -49.26 -41.02 36.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.144 179.745 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -63.07 -26.44 68.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.128 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.468 ' NZ ' ' CZ ' ' A' ' 88' ' ' PHE . 28.9 mmtp -80.62 -13.56 58.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 106.77 33.97 3.16 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.506 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 47.1 mt -116.81 129.82 72.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.822 0.344 . . . . 0.0 111.112 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -70.94 117.26 12.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.9 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 36.8 pt -110.88 -19.25 7.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.099 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 41.0 mm-40 -42.7 104.37 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.921 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 136.24 -37.14 1.92 Allowed Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.489 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 78.3 mt -64.95 159.65 22.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.847 0.356 . . . . 0.0 110.882 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 42.4 m -137.9 107.95 6.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.854 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -49.37 -37.29 24.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.07 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -63.97 -50.12 69.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.865 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -55.51 -40.54 71.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.888 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.432 HD13 ' CG2' ' A' ' 82' ' ' ILE . 16.8 mt -63.73 -44.57 98.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.11 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 8.3 ttt85 -57.58 -32.2 66.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.848 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 39.9 m-20 -77.85 -24.28 48.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 96.35 35.07 5.6 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.516 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . 0.455 ' ND2' ' HB2' ' A' ' 110' ' ' LYS . 0.2 OUTLIER -78.88 106.23 10.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.82 0.343 . . . . 0.0 110.897 -179.881 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.411 HD12 ' CD ' ' A' ' 44' ' ' GLN . 8.7 tp -43.93 -51.11 7.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.455 ' HB2' ' ND2' ' A' ' 108' ' ' ASN . 3.6 mmmp? -51.2 -31.53 20.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.866 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -78.63 -60.45 2.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.167 179.784 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.423 ' CG2' ' HG ' ' A' ' 43' ' ' LEU . 4.9 mp -51.08 -57.74 2.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.164 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.47 ' CD1' HD21 ' A' ' 16' ' ' LEU . 62.8 mt -40.88 -49.66 3.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.912 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -53.87 -42.77 70.24 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.449 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.567 ' CD2' ' CD2' ' A' ' 116' ' ' PHE . 0.2 OUTLIER -64.19 -59.96 3.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.859 0.361 . . . . 0.0 110.95 -179.939 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . 0.567 ' CD2' ' CD2' ' A' ' 115' ' ' LEU . 10.9 m-85 -64.45 -16.31 62.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . 0.423 ' CD1' ' C ' ' A' ' 117' ' ' PHE . 9.0 t80 -76.79 -32.53 57.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.868 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 3.0 m -94.62 -46.17 7.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.868 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 8.2 tp -45.55 -54.54 7.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.911 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 25.2 p -47.29 -43.48 22.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 65.4 mtp180 -51.43 -53.2 39.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.914 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . 0.468 ' CD1' ' C ' ' A' ' 122' ' ' TYR . 1.0 OUTLIER -42.02 -47.02 4.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.958 -179.9 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 16.5 tptp -72.21 -53.86 11.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.902 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -46.81 126.5 8.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.929 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 50.39 42.07 25.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.946 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . 0.442 ' CD ' ' O ' ' A' ' 126' ' ' GLN . 5.0 pp0? -81.36 41.51 0.62 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 19.3 pt20 -153.64 131.39 11.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.94 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . 0.471 ' NE2' ' HD2' ' A' ' 129' ' ' PRO . 7.8 tm0? -122.06 128.8 25.39 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.57 0.7 . . . . 0.0 110.957 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' PRO . . . . . 0.471 ' HD2' ' NE2' ' A' ' 128' ' ' GLN . 54.5 Cg_endo . . . . . 0 C--N 1.341 0.157 0 C-N-CA 122.696 2.264 . . . . 0.0 112.393 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.504 -0.239 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.0 m -91.71 83.92 5.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.91 0.386 . . . . 0.0 110.857 -179.748 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 82.8 p -84.61 41.99 0.88 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.873 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -136.28 44.98 1.12 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.547 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.8 t 44.62 41.66 5.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.863 0.363 . . . . 0.0 110.847 -179.715 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 7' ' ' GLY . 3.3 t -134.36 150.66 50.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.85 -179.833 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.408 ' C ' ' O ' ' A' ' 6' ' ' SER . . . 37.68 40.39 0.71 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.47 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 22.7 ttmt -100.98 122.42 43.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.789 0.328 . . . . 0.0 110.919 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -124.75 8.79 8.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.855 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 24.8 mttm -126.73 143.54 46.88 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.55 0.69 . . . . 0.0 110.885 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 109.92 2.43 Favored 'Trans proline' 0 C--O 1.231 0.141 0 C-N-CA 122.676 2.251 . . . . 0.0 112.375 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 10.8 p -44.94 135.27 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.086 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.444 HG22 ' N ' ' A' ' 14' ' ' HIS . 5.2 mp -87.64 149.47 4.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.158 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.518 ' CG ' HD11 ' A' ' 22' ' ' ILE . 34.1 m80 -122.81 84.13 2.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.873 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -41.79 165.0 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.459 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 89.5 mt -39.41 -56.7 1.54 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.768 0.318 . . . . 0.0 110.955 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 27.3 mm-40 -55.0 -42.45 72.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.423 ' HB2' ' C ' ' A' ' 14' ' ' HIS . 0.6 OUTLIER -61.41 -38.04 85.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.839 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.432 ' O ' ' C ' ' A' ' 20' ' ' LYS . 20.5 mt-30 -55.36 -54.87 38.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.9 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' A' ' 19' ' ' GLN . 29.3 tttt -34.39 -41.57 0.12 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.428 ' O ' ' C ' ' A' ' 22' ' ' ILE . 28.8 ttt85 -67.63 -60.4 2.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.854 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.518 HD11 ' CG ' ' A' ' 14' ' ' HIS . 92.7 mt -35.8 -53.87 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.146 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 25.0 m-85 -66.15 -45.79 79.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.854 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 59.3 m -46.19 -55.03 7.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.139 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -62.14 -41.18 98.02 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.863 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 80.8 t90 -57.12 -55.15 38.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.939 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.66 -50.24 70.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.101 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 19.9 m-20 -40.63 -43.37 1.9 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.848 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.527 ' CE1' ' HE2' ' A' ' 33' ' ' LYS . 6.5 t60 -51.71 -46.86 64.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.82 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 82.8 m-85 -63.75 -23.78 67.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.992 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.45 ' O ' ' CB ' ' A' ' 36' ' ' HIS . 19.3 mt -80.84 -40.68 24.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.919 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -71.43 -46.45 60.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.072 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.527 ' HE2' ' CE1' ' A' ' 29' ' ' HIS . 12.1 ptpt -57.55 -35.56 70.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.914 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.43 ' O ' ' C ' ' A' ' 35' ' ' GLY . 7.1 t -88.13 38.03 0.84 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.891 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.43 ' C ' ' O ' ' A' ' 34' ' ' SER . . . 35.71 65.33 0.47 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.493 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.564 ' CD2' ' HB3' ' A' ' 38' ' ' ARG . 14.3 t60 -111.75 135.84 51.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.859 0.361 . . . . 0.0 110.848 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 40.3 mttp -97.34 53.89 1.18 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.898 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.564 ' HB3' ' CD2' ' A' ' 36' ' ' HIS . 9.5 ttp-105 -176.05 133.27 0.25 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.865 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 45.5 mt -109.4 -175.46 2.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.938 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 68.4 mt -102.57 113.05 38.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.143 179.815 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 18.3 mmt180 -83.48 -65.69 0.98 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.864 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.427 ' O ' ' N ' ' A' ' 46' ' ' ASP . 1.0 OUTLIER -115.32 98.06 6.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.822 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.567 HD13 ' CE2' ' A' ' 116' ' ' PHE . 15.2 tp -38.11 -38.38 0.33 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.939 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 90.7 mt-30 -66.49 -46.99 74.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.931 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.41 ' N ' ' O ' ' A' ' 42' ' ' ASP . 5.0 mm100 -84.27 -8.14 59.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.958 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.427 ' N ' ' O ' ' A' ' 42' ' ' ASP . 0.9 OUTLIER -90.46 -3.61 57.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 179.913 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 15.4 m -127.49 -10.28 4.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.137 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 11.2 p -60.18 -42.21 94.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.133 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -81.19 -30.72 34.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.857 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 87.91 -28.59 5.92 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.466 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 60.1 t -55.92 -67.46 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.897 0.379 . . . . 0.0 111.114 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.3 tt -54.82 -38.2 67.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.908 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.9 tp -56.04 -55.42 33.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.449 ' O ' ' N ' ' A' ' 56' ' ' ILE . . . -54.81 -45.3 74.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.085 179.845 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.561 ' NE2' ' CE1' ' A' ' 36' ' ' HIS . 14.4 mt-30 -39.11 -27.87 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.922 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.449 ' N ' ' O ' ' A' ' 54' ' ' ALA . 18.0 mt -90.0 -53.65 8.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.125 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.444 ' CD1' ' HB3' ' A' ' 85' ' ' CYS . 66.6 mt -47.99 -46.18 12.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.148 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -58.47 -29.04 65.89 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.907 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 98.2 t -82.43 -57.84 4.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.074 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 7.5 p -62.3 -26.08 39.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.098 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.41 ' HB3' ' NZ ' ' A' ' 92' ' ' LYS . . . -96.28 -10.45 27.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.113 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 18.5 m-80 56.3 32.99 21.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.86 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -139.03 170.54 15.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 20.1 tttt -119.93 137.52 54.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.957 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.468 ' HB ' ' CG1' ' A' ' 68' ' ' ILE . 23.4 mt -97.69 114.03 33.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.131 179.872 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -74.4 -27.84 60.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.877 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.467 ' CB ' ' HB1' ' A' ' 84' ' ' ALA . 13.3 m-20 -79.61 44.19 0.61 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.893 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.468 ' CG1' ' HB ' ' A' ' 65' ' ' ILE . 32.8 mm -118.42 128.58 75.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.162 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 46.7 t-20 -75.36 -58.54 3.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.919 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 98.51 -36.6 3.9 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.519 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 33.7 m -129.72 73.78 81.23 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.649 0.738 . . . . 0.0 110.887 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 106.72 1.72 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.689 2.259 . . . . 0.0 112.335 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 23.7 mtmm -109.39 -48.05 3.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.911 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 25.0 t30 -63.59 168.2 4.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.908 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 10.1 tpp180 -71.93 -37.09 70.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.878 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 67.3 p -90.91 -24.27 20.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.845 -179.786 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 6.4 mm-40 -47.09 -47.65 22.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.891 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 14.6 mtt -52.84 -49.96 64.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.902 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.437 ' O ' ' C ' ' A' ' 80' ' ' GLU . 51.0 mm -41.58 -62.82 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.105 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.437 ' C ' ' O ' ' A' ' 79' ' ' ILE . 24.7 mm-40 -35.23 -60.68 0.47 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 21.7 m-20 -39.21 -69.22 0.13 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.849 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 46.2 mt -52.77 -38.7 28.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.179 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -56.93 -50.19 73.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.89 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.467 ' HB1' ' CB ' ' A' ' 67' ' ' ASP . . . -51.21 -44.09 61.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.122 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . 0.444 ' HB3' ' CD1' ' A' ' 57' ' ' ILE . 56.5 m -61.18 -44.1 97.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 -179.895 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 53.9 mt -63.37 -54.52 35.52 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.94 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 66.3 m-80 -62.76 -37.28 86.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.869 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 27.3 t80 -67.07 -35.55 80.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.872 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 44.7 mt -74.38 -43.9 54.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.919 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -50.91 -50.61 57.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.085 179.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -51.14 -30.25 16.01 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.091 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.41 ' NZ ' ' HB3' ' A' ' 61' ' ' ALA . 22.6 mmtp -74.79 -25.17 58.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.879 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 118.66 38.42 0.77 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.471 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.43 ' CD1' ' HB2' ' A' ' 122' ' ' TYR . 62.3 mt -122.51 140.43 46.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.877 0.37 . . . . 0.0 111.131 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 10.5 t30 -74.24 121.51 21.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.857 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.416 ' O ' ' C ' ' A' ' 97' ' ' GLN . 25.2 pt -119.7 -28.24 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.138 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.416 ' C ' ' O ' ' A' ' 96' ' ' ILE . 28.0 mt-30 -36.81 -60.43 0.61 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.93 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -45.02 -44.5 9.07 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.479 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 42.3 mt -64.29 177.01 0.91 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.815 0.341 . . . . 0.0 110.925 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 4.1 m -158.41 112.91 2.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.859 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -47.48 -46.57 27.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.082 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -54.34 -52.35 61.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.914 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -58.37 -47.1 84.92 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.939 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 45.7 mt -57.95 -42.03 81.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.155 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 7.2 ttt-85 -63.24 -28.43 70.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.896 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 48.7 m-80 -73.15 -28.39 62.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.888 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 97.38 25.01 11.41 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.419 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . 0.452 ' O ' ' CD1' ' A' ' 112' ' ' ILE . 40.6 t-20 -74.16 109.11 7.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.851 0.358 . . . . 0.0 110.92 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 3.1 tp -43.3 -50.74 6.55 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 4.5 mmmp? -51.38 -35.14 37.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.858 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -75.63 -60.75 2.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.095 179.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.452 ' CD1' ' O ' ' A' ' 108' ' ' ASN . 5.4 mp -52.06 -61.05 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.131 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 90.7 mt -39.12 -42.69 0.96 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.953 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -58.93 -50.04 71.92 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.484 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.537 ' CD2' ' CD2' ' A' ' 116' ' ' PHE . 0.3 OUTLIER -52.09 -59.21 4.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.897 0.38 . . . . 0.0 110.931 -179.941 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . 0.567 ' CE2' HD13 ' A' ' 43' ' ' LEU . 10.9 m-85 -64.29 -28.38 69.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . 0.485 ' CD1' ' C ' ' A' ' 117' ' ' PHE . 1.9 t80 -62.92 -34.09 76.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.865 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 46.0 m -94.84 -48.42 6.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.832 -179.774 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 12.6 tp -41.92 -55.57 3.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.908 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 3.0 t -46.01 -44.18 14.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.805 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . 0.436 ' NH1' ' HB3' ' A' ' 121' ' ' ARG . 11.7 mtp-105 -50.1 -54.68 18.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.836 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . 0.43 ' HB2' ' CD1' ' A' ' 94' ' ' ILE . 2.7 t80 -39.51 -44.64 1.44 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.895 -179.854 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 20.5 tptp -79.31 -44.77 20.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.927 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -38.45 -39.28 0.44 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 33.2 tt0 -93.16 -40.1 10.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.925 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . 0.434 ' O ' ' C ' ' A' ' 127' ' ' GLN . 1.6 tm0? -39.66 -41.01 1.0 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.913 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . 0.434 ' C ' ' O ' ' A' ' 126' ' ' GLN . 8.7 pt20 -35.07 139.15 0.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.912 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -54.65 142.34 53.04 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.654 0.74 . . . . 0.0 110.889 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--N 1.342 0.204 0 C-N-CA 122.68 2.253 . . . . 0.0 112.366 179.996 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.7 m -65.23 158.71 25.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.861 0.362 . . . . 0.0 110.852 -179.719 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.4 t -71.1 160.62 32.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.873 -179.789 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -153.6 127.7 2.23 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.461 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 87.9 p -89.57 164.61 14.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.893 0.378 . . . . 0.0 110.857 -179.759 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 83.3 p -119.54 118.03 29.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.872 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -76.85 -112.7 0.14 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.448 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 34.2 mtmm -102.1 148.8 24.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.809 0.338 . . . . 0.0 110.913 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -90.82 145.14 25.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.926 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.77 152.61 26.05 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.639 0.733 . . . . 0.0 110.879 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 138.56 38.22 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.653 2.235 . . . . 0.0 112.358 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 5.2 p -137.63 142.39 36.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.138 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.433 HG23 ' N ' ' A' ' 14' ' ' HIS . 35.1 mm -88.9 142.58 12.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.146 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.495 ' CG ' HD13 ' A' ' 22' ' ' ILE . 41.5 m80 -110.57 84.07 1.87 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.875 179.843 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -45.84 172.37 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.532 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 95.6 mt -44.8 -59.4 2.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.753 0.311 . . . . 0.0 110.916 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.458 ' HG2' ' N ' ' A' ' 18' ' ' ASP . 1.9 pm0 -55.4 -33.27 63.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.905 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.458 ' N ' ' HG2' ' A' ' 17' ' ' GLU . 1.1 m-20 -71.41 -35.01 70.85 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 22.8 mt-30 -60.68 -43.95 97.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.919 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 35.1 tttt -41.68 -40.73 2.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 17.5 tpt180 -68.61 -50.88 48.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.495 HD13 ' CG ' ' A' ' 14' ' ' HIS . 66.3 mt -48.79 -45.81 15.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.169 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 29.8 m-85 -68.25 -45.25 73.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.492 ' O ' ' ND2' ' A' ' 28' ' ' ASN . 53.3 m -44.41 -51.35 8.71 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.18 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -62.78 -42.98 99.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.849 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 66.9 t90 -53.08 -51.66 61.1 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.882 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.11 -38.83 86.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.118 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.492 ' ND2' ' O ' ' A' ' 24' ' ' THR . 1.3 m-80 -48.07 -47.77 33.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.866 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 7.7 t60 -48.13 -54.01 14.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.885 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 83.7 m-85 -57.81 -27.5 63.18 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.912 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 12.0 mt -78.74 -45.79 20.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.886 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.69 -45.15 87.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.101 179.793 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.6 ptmm? -58.29 -35.43 71.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.886 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 38.0 t -91.81 31.79 1.18 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.864 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 46.46 69.63 0.81 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.509 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.49 ' CE1' HE22 ' A' ' 55' ' ' GLN . 6.5 t60 -134.11 78.63 1.77 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.886 0.374 . . . . 0.0 110.841 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.455 ' C ' ' O ' ' A' ' 36' ' ' HIS . 26.4 mttm -34.16 -63.88 0.26 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.911 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.439 ' HB3' ' CD2' ' A' ' 36' ' ' HIS . 47.0 ttm-85 -42.4 151.72 0.11 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.864 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 66.2 mt -135.62 169.98 16.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.932 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 91.8 mt -85.03 103.08 11.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.098 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 37.2 mmt-85 -83.16 -58.05 3.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.848 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.413 ' O ' ' N ' ' A' ' 46' ' ' ASP . 1.1 m-20 -115.15 101.29 8.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.874 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.575 HD11 ' CE2' ' A' ' 116' ' ' PHE . 10.9 tp -54.67 -37.73 66.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.893 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.458 ' NE2' ' HB2' ' A' ' 109' ' ' LEU . 16.8 mt-30 -77.43 4.13 11.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.919 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 9.2 mm-40 -129.92 -19.36 3.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.907 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.413 ' N ' ' O ' ' A' ' 42' ' ' ASP . 42.0 m-20 -87.96 -26.35 22.71 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.864 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 34.5 m -90.56 -24.98 5.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.182 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 66.7 p -51.37 -45.03 62.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.13 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -74.46 -29.85 61.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.881 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 83.36 -24.91 5.24 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.479 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 86.5 t -59.16 -64.13 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.846 0.355 . . . . 0.0 111.147 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 2.0 tt -59.33 -37.98 79.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.913 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.7 tp -55.19 -50.12 70.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.406 ' O ' ' C ' ' A' ' 55' ' ' GLN . . . -60.52 -47.08 87.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.105 179.802 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.49 HE22 ' CE1' ' A' ' 36' ' ' HIS . 22.6 mt-30 -37.29 -36.46 0.14 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.935 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 3.2 mp -80.52 -49.35 18.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.132 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 49.7 mt -54.69 -60.43 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.098 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 44.3 mt-30 -45.0 -25.49 0.32 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.92 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.413 ' O ' ' N ' ' A' ' 62' ' ' ASN . 83.1 t -86.25 -69.04 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.147 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 5.2 p -46.34 -23.56 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.145 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -100.41 -22.55 15.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.131 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.413 ' N ' ' O ' ' A' ' 59' ' ' VAL . 18.4 t30 70.24 31.31 3.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.937 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -133.19 177.5 7.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.878 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 20.1 tttt -126.11 138.54 53.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.927 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.473 ' HB ' ' CG1' ' A' ' 68' ' ' ILE . 15.0 mt -99.72 115.74 41.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.154 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -78.51 -23.25 46.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.439 ' CB ' ' HB1' ' A' ' 84' ' ' ALA . 4.7 m-20 -83.75 42.3 0.84 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.854 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.473 ' CG1' ' HB ' ' A' ' 65' ' ' ILE . 35.4 mm -116.82 113.25 42.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.104 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 26.3 t30 -54.24 -54.59 37.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.863 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 104.21 -61.38 0.42 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.475 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 4.0 t -116.69 77.47 8.26 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.573 0.701 . . . . 0.0 110.871 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 131.08 20.5 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.732 2.288 . . . . 0.0 112.367 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 27.9 mtmm -129.61 -49.96 1.16 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.881 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -73.31 170.53 14.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.902 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 27.0 ttm180 -61.75 -54.03 47.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.853 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.41 ' HA ' ' CG1' ' A' ' 79' ' ' ILE . 1.3 t -68.01 -37.75 81.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.863 -179.828 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 6.5 mm-40 -39.61 -48.47 2.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.91 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 15.3 mtm -66.87 -37.65 84.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.41 ' CG1' ' HA ' ' A' ' 76' ' ' SER . 36.3 mm -50.43 -52.57 15.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.133 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -52.0 -47.68 64.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.869 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -45.3 -65.23 0.56 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.893 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.445 ' CG2' HD11 ' A' ' 104' ' ' ILE . 15.3 mt -60.83 -45.46 97.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.157 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -48.11 -48.4 33.86 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.831 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.439 ' HB1' ' CB ' ' A' ' 67' ' ' ASP . . . -54.77 -43.57 72.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.131 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 32.1 m -61.4 -43.11 99.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 42.5 mt -63.39 -52.78 60.19 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.881 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 68.3 m-80 -64.15 -37.94 89.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 16.6 t80 -67.61 -38.62 84.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 55.6 mt -71.35 -42.2 68.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.91 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -49.86 -49.91 47.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.107 179.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -52.22 -30.1 25.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.081 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 20.2 mmtp -74.81 -23.06 58.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.862 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 116.84 34.69 1.23 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.492 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 54.7 mt -117.72 137.22 52.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.871 0.367 . . . . 0.0 111.122 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -73.67 119.34 17.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.413 ' O ' ' C ' ' A' ' 97' ' ' GLN . 30.9 pt -117.61 -28.8 2.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.13 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.413 ' C ' ' O ' ' A' ' 96' ' ' ILE . 19.4 mm-40 -37.08 -50.93 0.95 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.946 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -57.47 -44.3 93.73 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.491 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 47.4 mt -60.83 174.5 0.6 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.821 0.343 . . . . 0.0 110.899 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 37.9 m -151.41 117.13 5.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.878 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -57.51 -49.8 75.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.115 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -56.21 -40.01 73.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.888 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -65.79 -48.9 70.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.893 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.445 HD11 ' CG2' ' A' ' 82' ' ' ILE . 77.6 mt -55.84 -43.84 75.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.133 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 12.6 ttt-85 -60.49 -34.86 74.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.836 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 43.0 m-20 -68.74 -26.48 65.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.916 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 98.38 25.73 9.92 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.499 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 55.1 t30 -74.12 103.8 4.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.853 0.358 . . . . 0.0 110.906 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.458 ' HB2' ' NE2' ' A' ' 44' ' ' GLN . 23.2 tp -39.97 -52.93 2.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.925 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 5.3 mmmm -43.86 -38.87 3.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -72.74 -61.17 1.9 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.1 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.554 ' CG2' ' CD2' ' A' ' 43' ' ' LEU . 5.1 mp -46.92 -57.53 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.178 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 28.1 mt -50.02 -48.17 52.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.943 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -56.91 -41.67 91.87 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.506 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.602 ' CD2' ' CD2' ' A' ' 116' ' ' PHE . 0.4 OUTLIER -59.36 -61.93 2.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.862 0.363 . . . . 0.0 110.912 -179.934 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . 0.602 ' CD2' ' CD2' ' A' ' 115' ' ' LEU . 14.0 m-85 -65.07 -24.25 67.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.858 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . 0.534 ' CD1' ' C ' ' A' ' 117' ' ' PHE . 2.1 t80 -66.23 -36.71 83.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.839 -179.89 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 18.6 m -94.83 -50.01 5.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.855 -179.792 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 13.0 tp -42.5 -55.62 3.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.887 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 17.6 t -44.47 -42.9 7.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.881 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 68.8 mtp180 -47.5 -50.26 23.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.905 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 8.2 t80 -40.06 -55.56 2.05 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.919 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 13.7 tptp -67.65 -47.66 68.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.92 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 -39.69 114.79 0.45 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.932 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 6.9 mp0 57.66 54.82 6.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 45.4 tp60 -118.93 44.36 2.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.965 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -147.03 168.38 21.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 4.4 pp0? -71.45 149.91 93.79 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.587 0.708 . . . . 0.0 110.916 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo . . . . . 0 C--O 1.231 0.164 0 C-N-CA 122.716 2.278 . . . . 0.0 112.363 179.949 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.5 m -69.52 137.86 52.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.894 0.378 . . . . 0.0 110.847 -179.782 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 64.2 p -171.17 133.51 0.87 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.838 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 152.48 -175.41 31.11 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.48 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.433 ' O ' ' C ' ' A' ' 6' ' ' SER . 37.0 t -122.11 43.59 2.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.878 0.371 . . . . 0.0 110.826 -179.725 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.433 ' C ' ' O ' ' A' ' 5' ' ' SER . 7.4 t -35.77 -50.52 0.64 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.835 -179.816 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 157.66 171.51 23.72 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.505 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 16.6 tptm -131.94 49.75 2.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.78 0.324 . . . . 0.0 110.874 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -88.51 40.96 0.99 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.9 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 15.6 ptpt -172.32 152.68 2.79 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.553 0.692 . . . . 0.0 110.909 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 134.16 27.36 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.67 2.246 . . . . 0.0 112.354 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.463 ' CG2' ' NE2' ' A' ' 14' ' ' HIS . 11.0 p -38.13 119.87 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.155 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 9.2 mm -113.19 -31.17 2.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.141 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.484 ' O ' ' CG ' ' A' ' 19' ' ' GLN . 40.7 m170 62.89 52.16 2.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.852 179.846 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.466 ' N ' ' HB2' ' A' ' 18' ' ' ASP . . . -44.26 158.95 0.14 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.485 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.406 ' C ' ' O ' ' A' ' 15' ' ' GLY . 28.3 mt -35.88 -53.34 0.75 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.806 0.336 . . . . 0.0 110.92 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -64.75 -40.75 95.83 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.466 ' HB2' ' N ' ' A' ' 15' ' ' GLY . 10.9 m-20 -63.97 -29.43 70.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.484 ' CG ' ' O ' ' A' ' 14' ' ' HIS . 33.8 mt-30 -67.19 -49.16 65.65 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 -179.879 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 30.3 tttt -44.0 -56.79 3.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.848 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 8.4 tpt180 -50.78 -53.99 27.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.865 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 84.3 mt -44.53 -47.36 2.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.111 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.485 ' CD1' ' HB3' ' A' ' 116' ' ' PHE . 25.8 m-85 -67.53 -53.05 31.86 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.892 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.407 ' O ' ' ND2' ' A' ' 28' ' ' ASN . 98.1 m -40.91 -53.45 2.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.123 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 21.6 t0 -67.19 -39.39 86.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.828 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 72.6 t90 -55.18 -45.54 75.78 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.939 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.417 ' O ' ' C ' ' A' ' 28' ' ' ASN . . . -71.19 -47.37 57.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.073 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.417 ' C ' ' O ' ' A' ' 27' ' ' ALA . 1.8 m-80 -37.09 -51.92 0.98 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.899 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 9.8 t60 -45.14 -63.69 0.88 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 71.1 m-85 -47.28 -46.78 25.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.889 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 13.0 mt -56.28 -60.79 2.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.981 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -69.44 -9.42 53.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.08 179.791 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -83.47 -31.88 26.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.87 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.8 t -99.85 27.04 5.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.918 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 57.95 70.81 0.88 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.461 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 8.3 t-80 -116.09 145.86 42.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.852 0.358 . . . . 0.0 110.845 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 5.1 mtpm? -102.86 47.57 0.88 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 25.1 ttt180 -172.35 147.43 1.95 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 17.1 mt -122.65 -178.3 3.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.861 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.457 HG23 ' CB ' ' A' ' 46' ' ' ASP . 96.6 mt -109.06 109.41 28.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.154 179.853 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 75.2 mtt180 -80.01 -64.15 1.25 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.91 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.462 ' O ' ' N ' ' A' ' 45' ' ' GLN . 60.8 m-20 -113.59 102.43 10.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.859 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.484 HD11 ' CE2' ' A' ' 116' ' ' PHE . 12.9 tp -37.06 -47.34 0.73 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.935 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 55.8 mt-30 -57.71 -42.87 84.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.904 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.462 ' N ' ' O ' ' A' ' 42' ' ' ASP . 12.3 mm100 -82.01 -16.76 49.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.927 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.457 ' CB ' HG23 ' A' ' 40' ' ' ILE . 0.2 OUTLIER -80.12 -7.54 58.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.848 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 20.3 m -132.46 34.5 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.07 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.2 p -88.21 -34.35 17.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.149 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.429 ' O ' ' CB ' ' A' ' 81' ' ' ASN . 10.0 m-20 -105.5 -19.23 13.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.875 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 90.32 -27.26 8.69 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.501 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 45.5 t -53.06 -70.51 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.907 0.384 . . . . 0.0 111.149 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.3 tt -52.72 -36.64 57.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.95 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.6 tp -59.17 -50.8 72.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.915 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.13 -40.72 94.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.085 179.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 -42.5 -30.41 0.34 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.939 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 4.2 mp -88.43 -51.84 11.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.135 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.427 ' CD1' ' HB3' ' A' ' 85' ' ' CYS . 24.3 mt -48.1 -56.44 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.132 179.826 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 37.6 mt-30 -48.4 -30.74 5.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.938 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 82.9 t -80.01 -68.59 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.093 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 3.5 p -48.52 -24.41 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.142 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -99.22 -21.17 16.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.073 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 15.1 t-20 67.16 35.7 4.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.895 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -137.29 177.99 7.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.908 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 7.0 ttmt -126.61 138.21 53.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.887 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 16.9 mt -101.97 103.23 14.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.15 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -71.6 -14.23 62.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -89.2 36.8 0.83 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.85 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 38.8 mm -114.84 112.2 39.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.115 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 39.2 t30 -48.69 -73.65 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.845 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 128.85 -58.29 0.71 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.503 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 2.1 m -128.76 81.21 71.22 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.627 0.727 . . . . 0.0 110.871 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 107.27 1.81 Allowed 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.705 2.27 . . . . 0.0 112.32 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 30.3 mmtm -96.62 -37.54 10.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.904 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 -79.85 161.86 25.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.884 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 13.9 ttt180 -63.2 -36.93 85.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.91 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.466 ' O ' ' N ' ' A' ' 78' ' ' MET . 58.7 p -82.4 -43.19 17.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 -179.801 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.401 ' C ' ' O ' ' A' ' 76' ' ' SER . 29.2 mt-30 -37.83 -29.37 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.944 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.466 ' N ' ' O ' ' A' ' 76' ' ' SER . 28.5 mtt -73.37 -46.24 50.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.88 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.465 ' N ' ' O ' ' A' ' 76' ' ' SER . 46.6 mm -45.51 -57.3 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.139 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.416 ' O ' ' C ' ' A' ' 81' ' ' ASN . 4.5 mm-40 -42.48 -61.38 1.23 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.897 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.429 ' CB ' ' O ' ' A' ' 49' ' ' ASP . 6.9 m-20 -36.03 -71.04 0.08 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.875 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 15.2 mt -51.54 -37.39 19.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.167 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -58.89 -47.71 84.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.868 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -52.6 -46.88 67.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.095 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . 0.427 ' HB3' ' CD1' ' A' ' 57' ' ' ILE . 68.4 m -58.42 -41.27 84.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 50.7 mt -65.96 -49.71 66.92 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.894 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 69.9 m-80 -65.5 -34.26 77.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.882 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 6.6 t80 -70.11 -37.66 75.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.878 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 29.1 mt -73.07 -39.88 65.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.971 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -54.12 -45.77 72.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.098 179.769 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -57.5 -22.46 44.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.13 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 20.4 mmtp -84.87 -19.37 32.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 114.66 35.64 1.38 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.453 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 58.0 mt -120.63 125.72 74.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.843 0.354 . . . . 0.0 111.086 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -65.06 128.47 35.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.476 ' O ' ' N ' ' A' ' 99' ' ' LEU . 29.6 pt -128.31 -30.81 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.118 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.432 ' C ' ' O ' ' A' ' 96' ' ' ILE . 39.3 mm-40 -35.85 -47.73 0.53 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -58.76 -40.36 94.87 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.544 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.476 ' N ' ' O ' ' A' ' 96' ' ' ILE . 44.8 mt -66.66 179.84 0.99 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.856 0.36 . . . . 0.0 110.938 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 16.3 m -157.4 113.16 2.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.845 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -49.06 -50.01 38.71 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.083 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -49.25 -53.89 19.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.856 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -56.08 -44.42 78.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.866 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 39.6 mt -58.87 -42.06 84.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.133 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 20.2 ttt-85 -64.73 -29.03 70.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.898 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 -77.04 -22.1 53.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 94.94 20.18 29.14 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.501 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . 0.455 ' O ' ' CD1' ' A' ' 112' ' ' ILE . 14.9 t-20 -67.17 108.26 2.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.873 0.368 . . . . 0.0 110.892 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 9.7 tp -47.31 -57.48 5.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.894 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 21.3 mmtt -45.38 -28.54 0.88 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.879 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -82.22 -61.55 1.87 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.109 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.455 ' CD1' ' O ' ' A' ' 108' ' ' ASN . 5.1 mp -49.71 -54.36 7.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.124 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.42 ' O ' ' CB ' ' A' ' 117' ' ' PHE . 71.4 mt -46.86 -39.58 12.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -62.39 -38.61 96.56 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.472 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.558 ' CD2' ' CD2' ' A' ' 116' ' ' PHE . 0.2 OUTLIER -67.4 -58.96 3.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.859 0.361 . . . . 0.0 110.937 -179.899 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . 0.558 ' CD2' ' CD2' ' A' ' 115' ' ' LEU . 10.6 m-85 -65.43 -16.83 64.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . 0.42 ' CB ' ' O ' ' A' ' 113' ' ' LEU . 1.8 t80 -72.72 -35.73 67.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.89 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 41.5 p -94.38 -47.14 6.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.863 -179.804 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 9.2 tp -46.2 -49.71 16.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.925 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 9.1 t -53.95 -44.68 70.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 46.4 mtp85 -55.45 -50.2 70.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.857 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -42.26 -36.55 1.26 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.907 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . 0.433 ' O ' ' C ' ' A' ' 124' ' ' GLN . 19.1 tptt -85.29 -50.8 7.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.939 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . 0.433 ' C ' ' O ' ' A' ' 123' ' ' LYS . 32.9 mm-40 -34.39 -49.62 0.39 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.885 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 94.3 mt-30 -80.56 -48.32 12.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.942 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 36.9 tp60 -59.26 88.89 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.944 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 36.3 mm-40 -129.95 -51.04 1.13 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.928 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -47.35 145.11 4.04 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.631 0.729 . . . . 0.0 110.887 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo . . . . . 0 C--N 1.342 0.209 0 C-N-CA 122.681 2.254 . . . . 0.0 112.378 179.945 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 N-CA-C 112.438 -0.265 . . . . 0.0 112.438 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.1 t -135.3 115.96 13.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.862 0.363 . . . . 0.0 110.866 -179.736 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.7 m -81.74 -48.35 11.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.853 -179.795 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 148.98 110.93 0.57 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.471 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.8 t -44.35 122.63 3.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.885 0.374 . . . . 0.0 110.869 -179.748 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.7 t -66.29 112.94 4.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.857 -179.798 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -89.77 178.55 43.98 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.487 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 55.2 mttm -76.1 -61.68 1.86 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.813 0.339 . . . . 0.0 110.886 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 13.1 ttp180 -152.2 133.59 14.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.848 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 7.4 mtpm? -145.04 159.14 50.72 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.532 0.682 . . . . 0.0 110.912 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 110.22 2.51 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.736 2.29 . . . . 0.0 112.334 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 14.6 p -135.25 132.73 52.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.109 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.436 HG23 ' N ' ' A' ' 14' ' ' HIS . 5.2 mp -99.96 151.29 5.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.109 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.436 ' N ' HG23 ' A' ' 13' ' ' ILE . 82.8 m-70 -108.44 84.07 1.88 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.835 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.439 ' O ' ' C ' ' A' ' 16' ' ' LEU . . . -51.06 165.96 0.7 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.443 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.439 ' C ' ' O ' ' A' ' 15' ' ' GLY . 53.6 mt -35.4 -59.0 0.56 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.817 0.342 . . . . 0.0 110.931 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -53.2 -46.35 68.99 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.903 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -59.68 -41.72 91.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.857 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 -52.63 -51.85 58.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.926 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 41.1 tttt -38.36 -55.27 1.38 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.941 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.4 tpp180 -54.05 -52.07 62.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.87 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 85.0 mt -45.15 -44.47 3.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.074 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 31.2 m-85 -71.92 -50.65 27.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.937 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.437 HG22 ' ND2' ' A' ' 28' ' ' ASN . 98.0 m -40.71 -52.22 2.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.176 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -61.59 -39.93 92.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.858 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 75.1 t90 -60.08 -47.69 84.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.931 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.73 -41.13 72.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.076 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.437 ' ND2' HG22 ' A' ' 24' ' ' THR . 1.8 m-80 -48.19 -52.69 19.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 8.0 t60 -43.08 -52.5 5.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.882 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 91.1 m-85 -60.74 -30.2 69.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.945 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.47 ' O ' ' CB ' ' A' ' 36' ' ' HIS . 10.9 mt -74.92 -41.29 59.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.906 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -70.56 -45.58 65.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.095 179.789 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 4.3 ptmm? -59.88 -34.68 73.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.929 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.3 t -88.86 31.57 0.85 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.832 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 47.18 70.66 0.66 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.507 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.47 ' CB ' ' O ' ' A' ' 31' ' ' LEU . 3.9 t-80 -131.11 95.72 3.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.872 0.368 . . . . 0.0 110.868 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 45.1 mttp -48.9 -54.14 16.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.932 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.47 ' HG2' ' N ' ' A' ' 39' ' ' LEU . 23.5 ttm180 -64.92 148.66 51.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.867 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.47 ' N ' ' HG2' ' A' ' 38' ' ' ARG . 83.0 mt -129.36 -175.16 3.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.917 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.421 HG23 ' CG ' ' A' ' 46' ' ' ASP . 97.3 mt -98.99 113.22 33.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.148 179.833 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 28.0 mtp180 -88.14 -60.56 1.93 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.846 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.45 ' N ' ' OD1' ' A' ' 46' ' ' ASP . 28.5 m-20 -115.15 98.45 6.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.921 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.549 HD11 ' CE2' ' A' ' 116' ' ' PHE . 12.0 tp -46.91 -33.4 4.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -70.02 -41.3 74.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.89 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 18.6 mt-30 -100.38 14.1 32.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.45 ' OD1' ' N ' ' A' ' 42' ' ' ASP . 0.9 OUTLIER -102.74 -35.98 8.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 179.947 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 23.0 m -102.91 34.91 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.092 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 34.9 p -84.48 -36.84 21.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.12 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.474 ' O ' ' CB ' ' A' ' 81' ' ' ASN . 0.4 OUTLIER -97.37 -20.37 17.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.851 179.88 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 89.04 -28.99 6.19 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.482 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 84.8 t -46.76 -64.59 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.829 0.347 . . . . 0.0 111.119 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.473 ' HG ' ' NE2' ' A' ' 55' ' ' GLN . 2.4 tt -57.14 -39.03 74.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.457 ' CD1' HD11 ' A' ' 57' ' ' ILE . 5.4 tp -53.92 -54.95 31.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -54.29 -44.9 72.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.084 179.802 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.473 ' NE2' ' HG ' ' A' ' 52' ' ' LEU . 28.1 mt-30 -39.39 -37.0 0.41 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.909 -179.888 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 5.1 mp -85.01 -47.21 17.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.13 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.457 HD11 ' CD1' ' A' ' 53' ' ' LEU . 62.0 mt -53.99 -58.92 2.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.143 179.808 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -47.99 -31.35 5.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.906 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 41.5 t -78.58 -67.39 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.076 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 7.1 p -53.51 -23.26 7.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.199 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -99.94 -12.53 19.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.141 179.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 9.5 m-80 56.09 41.51 29.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.912 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -145.4 162.37 37.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.1 tppt? -111.75 136.14 51.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.858 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.462 ' HB ' ' CG1' ' A' ' 68' ' ' ILE . 18.8 mt -99.2 110.75 27.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.134 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -74.77 -28.5 60.77 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.888 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -79.49 43.57 0.56 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.878 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.462 ' CG1' ' HB ' ' A' ' 65' ' ' ILE . 36.5 mm -116.44 134.17 60.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.114 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -123.44 100.31 6.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -80.76 37.44 2.3 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.494 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 3.3 t -134.94 57.39 21.15 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.585 0.707 . . . . 0.0 110.884 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.85 80.13 0.93 Allowed 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.676 2.251 . . . . 0.0 112.263 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 8.2 mmtp -87.82 -47.3 8.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.952 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -99.51 149.23 23.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 9.8 ptt-85 -47.49 -25.79 1.2 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.87 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.451 ' O ' ' N ' ' A' ' 79' ' ' ILE . 4.5 m -80.6 -48.66 12.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.89 -179.784 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.433 ' C ' ' O ' ' A' ' 76' ' ' SER . 10.5 mm100 -35.53 -55.03 0.68 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.919 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 17.1 mtt -50.6 -43.74 56.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.875 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.451 ' N ' ' O ' ' A' ' 76' ' ' SER . 48.4 mm -41.58 -64.2 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.155 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.428 ' O ' ' C ' ' A' ' 81' ' ' ASN . 8.4 mp0 -42.3 -61.02 1.28 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.474 ' CB ' ' O ' ' A' ' 49' ' ' ASP . 54.4 m-20 -35.83 -64.4 0.31 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.883 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 22.7 mt -58.83 -40.71 80.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.116 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -52.62 -55.25 23.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.854 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -47.55 -42.34 23.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.076 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 60.9 m -63.39 -49.06 75.27 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.907 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 61.6 mt -55.12 -48.49 73.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.941 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 66.9 m-80 -69.15 -42.16 76.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.42 ' CD1' ' C ' ' A' ' 88' ' ' PHE . 1.9 t80 -58.62 -48.07 82.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.466 HD21 ' CD1' ' A' ' 94' ' ' ILE . 95.9 mt -59.16 -49.55 77.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.933 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -47.31 -41.99 20.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.124 179.801 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -63.75 -36.25 83.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.126 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 52.8 mmtt -69.81 -28.5 65.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 123.15 39.67 0.51 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.509 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.466 ' CD1' HD21 ' A' ' 89' ' ' LEU . 73.8 mt -121.98 126.32 74.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.796 0.332 . . . . 0.0 111.153 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -71.21 110.83 6.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.416 ' O ' ' C ' ' A' ' 97' ' ' GLN . 36.8 pt -104.24 -29.55 2.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.136 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.416 ' C ' ' O ' ' A' ' 96' ' ' ILE . 13.3 mt-30 -36.87 116.69 0.46 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.883 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 123.75 -38.03 2.55 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.485 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 90.4 mt -62.87 176.84 0.63 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.783 0.325 . . . . 0.0 110.918 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 16.7 m -150.73 106.57 3.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.843 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -46.12 -43.05 14.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.131 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -60.07 -55.35 35.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.877 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -50.77 -40.83 55.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.873 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 82.6 mt -65.89 -41.08 89.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.164 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 12.2 ttt-85 -62.09 -36.35 81.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.91 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 80.9 m-20 -70.74 -26.49 63.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.922 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 97.25 34.13 5.72 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.441 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . 0.435 ' O ' ' CD1' ' A' ' 112' ' ' ILE . 53.3 t30 -78.6 108.33 11.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.866 0.365 . . . . 0.0 110.89 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.469 ' HG ' ' CD1' ' A' ' 113' ' ' LEU . 9.4 tp -40.8 -52.69 2.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.935 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 14.5 mmtm -47.39 -42.24 21.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.879 179.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -70.47 -61.73 1.66 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.113 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.439 ' CG2' ' HG ' ' A' ' 43' ' ' LEU . 5.3 mp -48.58 -63.65 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.175 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.469 ' CD1' ' HG ' ' A' ' 109' ' ' LEU . 67.9 mt -41.19 -41.5 1.83 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.943 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -63.05 -52.01 51.02 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.492 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.621 ' CD2' ' CD2' ' A' ' 116' ' ' PHE . 0.1 OUTLIER -50.78 -51.88 46.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.913 0.387 . . . . 0.0 110.921 -179.953 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . 0.621 ' CD2' ' CD2' ' A' ' 115' ' ' LEU . 9.2 m-85 -73.15 -32.34 64.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.918 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . 0.482 ' CD1' ' C ' ' A' ' 117' ' ' PHE . 3.3 t80 -61.26 -33.76 74.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.888 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 25.5 m -94.64 -50.89 4.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.796 -179.731 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 13.5 tp -41.35 -58.32 1.89 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.943 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 43.6 t -40.41 -48.28 2.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.846 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 55.5 mtp180 -40.87 -46.62 2.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.853 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . 0.461 ' HB2' ' CG1' ' A' ' 94' ' ' ILE . 23.4 t80 -43.62 -48.74 7.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.904 -179.85 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . 0.434 ' O ' ' C ' ' A' ' 124' ' ' GLN . 14.1 tptp -83.82 -53.03 5.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.893 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . 0.434 ' C ' ' O ' ' A' ' 123' ' ' LYS . 18.5 mm100 -34.84 -45.78 0.27 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.909 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -61.05 -62.1 2.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.908 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -69.65 82.96 0.43 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.944 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 67.5 mt-30 -89.02 107.05 18.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.907 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . 0.437 ' N ' ' CD ' ' A' ' 129' ' ' PRO . 23.7 mp0 57.66 54.58 6.67 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.573 0.701 . . . . 0.0 110.895 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' PRO . . . . . 0.437 ' CD ' ' N ' ' A' ' 128' ' ' GLN . 53.5 Cg_endo . . . . . 0 C--N 1.341 0.164 0 C-N-CA 122.668 2.245 . . . . 0.0 112.347 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.509 -0.237 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 79.6 p -152.76 170.05 21.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.865 0.364 . . . . 0.0 110.834 -179.714 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 77.7 p -174.38 149.86 1.39 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.844 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 120.33 123.91 3.11 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.54 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 84.3 p -154.77 144.85 21.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.912 0.387 . . . . 0.0 110.848 -179.687 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 65.9 p -153.85 149.5 27.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.9 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -131.48 135.29 8.13 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.524 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 58.5 mttt -115.93 109.14 17.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.761 0.315 . . . . 0.0 110.902 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 11.5 mpt_? -74.0 81.58 1.71 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 14.2 pttt -134.6 143.6 47.3 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.583 0.706 . . . . 0.0 110.892 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 107.34 1.83 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.689 2.26 . . . . 0.0 112.338 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 5.8 p -145.2 138.64 21.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.148 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.401 HG22 ' N ' ' A' ' 14' ' ' HIS . 34.5 mm -87.8 144.53 9.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.115 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.414 ' C ' ' HB2' ' A' ' 18' ' ' ASP . 54.8 m80 -107.57 83.51 1.82 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.861 179.864 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.435 ' O ' ' C ' ' A' ' 16' ' ' LEU . . . -41.31 161.22 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.502 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.435 ' C ' ' O ' ' A' ' 15' ' ' GLY . 55.3 mt -35.57 -56.81 0.65 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.788 0.328 . . . . 0.0 110.899 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -55.36 -45.15 76.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.414 ' HB2' ' C ' ' A' ' 14' ' ' HIS . 1.7 m-20 -58.14 -36.92 73.67 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.866 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 62.8 mt-30 -59.93 -46.0 90.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.92 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 42.6 tttt -42.55 -45.35 4.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.923 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 24.7 ttp180 -66.33 -54.42 24.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.893 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 95.2 mt -39.05 -52.91 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.097 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.432 ' CD1' ' HB3' ' A' ' 116' ' ' PHE . 38.4 m-85 -64.06 -49.34 72.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.912 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 98.5 m -43.31 -60.86 1.53 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.118 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.406 ' OD1' ' C ' ' A' ' 25' ' ' ASP . 20.2 t0 -52.9 -45.84 67.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.823 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 68.1 t90 -53.17 -51.36 62.3 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.874 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -64.02 -45.21 89.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.062 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.475 ' OD1' ' CD2' ' A' ' 39' ' ' LEU . 2.1 m-80 -42.92 -54.26 4.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.866 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.405 ' CE1' ' HD3' ' A' ' 33' ' ' LYS . 0.1 OUTLIER -41.58 -52.08 3.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.832 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.531 ' CE2' ' CG2' ' A' ' 60' ' ' VAL . 97.5 m-85 -57.81 -32.58 67.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 -179.829 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.418 ' N ' ' O ' ' A' ' 28' ' ' ASN . 18.0 mt -75.77 -54.16 7.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.956 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.19 -37.73 78.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.089 179.781 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.405 ' HD3' ' CE1' ' A' ' 29' ' ' HIS . 27.6 pttt -71.05 -31.26 67.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.907 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 4.6 t -85.85 -2.13 57.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.892 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 83.78 69.11 1.39 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.502 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.407 ' CG ' HD22 ' A' ' 31' ' ' LEU . 4.1 m-70 -128.13 137.91 52.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.874 0.368 . . . . 0.0 110.824 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 27.1 mtpp -93.99 -26.75 16.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 15.0 ttm180 -94.35 117.25 29.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.833 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.475 ' CD2' ' OD1' ' A' ' 28' ' ' ASN . 62.0 mt -93.39 176.51 6.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.891 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 83.7 mt -92.77 95.46 5.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.122 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 76.4 mtm180 -69.29 -61.97 1.57 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.869 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.463 ' O ' ' N ' ' A' ' 45' ' ' GLN . 0.5 OUTLIER -114.99 99.74 7.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.844 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.563 HD12 ' CE2' ' A' ' 116' ' ' PHE . 15.8 tp -33.75 -59.44 0.4 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.925 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.473 ' NE2' ' O ' ' A' ' 107' ' ' GLY . 58.2 mt-30 -48.01 -44.35 30.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.923 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.463 ' N ' ' O ' ' A' ' 42' ' ' ASP . 11.9 mm100 -77.52 -20.43 54.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.939 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -81.65 -6.17 58.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.823 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 26.0 m -124.33 -22.26 2.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.135 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.464 ' CG2' ' O ' ' A' ' 44' ' ' GLN . 15.0 p -48.34 -44.86 34.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.146 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -81.6 -29.97 33.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.898 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 87.36 -27.82 6.07 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.487 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 60.1 t -56.55 -65.63 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.845 0.355 . . . . 0.0 111.145 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.5 tt -57.63 -35.8 70.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.92 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.2 tp -56.82 -53.74 54.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.91 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -58.89 -43.01 90.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.133 179.776 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 16.6 mt-30 -40.15 -37.15 0.58 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.891 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 3.2 mp -80.09 -52.98 13.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.183 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.619 ' CG2' ' CE1' ' A' ' 88' ' ' PHE . 55.8 mt -47.71 -49.0 10.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.109 179.813 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -56.56 -38.24 71.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.905 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 58.0 t -73.34 -67.26 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.122 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.531 ' CG2' ' CE2' ' A' ' 30' ' ' TYR . 14.7 p -52.09 -30.37 12.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.102 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.413 ' CB ' ' O ' ' A' ' 57' ' ' ILE . . . -92.97 -16.64 24.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.085 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 59.4 m-20 61.41 39.53 15.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.881 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -141.85 164.36 30.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.927 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 6.6 ptmt -112.98 137.99 50.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.872 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.446 ' HB ' ' CG1' ' A' ' 68' ' ' ILE . 12.8 mt -107.36 108.93 26.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.131 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -74.33 -16.52 60.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.894 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -87.0 34.75 0.68 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.867 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.446 ' CG1' ' HB ' ' A' ' 65' ' ' ILE . 31.1 mm -115.92 146.66 20.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.095 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.447 ' O ' ' C ' ' A' ' 70' ' ' GLY . 19.5 t30 -107.26 107.08 17.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.915 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . 0.447 ' C ' ' O ' ' A' ' 69' ' ' ASN . . . -34.26 -58.39 0.67 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.484 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 43.3 t -139.72 118.19 8.72 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.589 0.709 . . . . 0.0 110.876 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 127.46 14.63 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.667 2.245 . . . . 0.0 112.312 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 35.9 mttt -103.66 -35.26 8.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -102.22 155.97 17.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.849 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.412 ' C ' ' HD3' ' A' ' 75' ' ' ARG . 0.2 OUTLIER -58.97 -28.19 66.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.873 -179.949 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.497 ' O ' ' N ' ' A' ' 78' ' ' MET . 4.0 m -88.75 -40.92 12.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.818 -179.754 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 11.9 mm-40 -37.77 -27.75 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.907 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.497 ' N ' ' O ' ' A' ' 76' ' ' SER . 9.5 mtt -70.04 -46.62 64.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.857 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.461 ' N ' ' O ' ' A' ' 76' ' ' SER . 26.0 mm -41.33 -53.71 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.132 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -49.46 -45.5 46.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.871 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -50.09 -65.88 0.49 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.919 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 33.4 mt -57.42 -43.81 83.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.105 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -51.58 -55.69 17.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.862 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -48.71 -44.74 38.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.105 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . 0.442 ' HB3' ' CD1' ' A' ' 57' ' ' ILE . 60.2 m -61.06 -49.11 78.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.876 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 41.9 mt -56.01 -49.69 72.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.92 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 69.2 m-80 -67.35 -36.35 81.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.923 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.619 ' CE1' ' CG2' ' A' ' 57' ' ' ILE . 0.4 OUTLIER -64.01 -39.21 93.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 88.2 mt -67.29 -43.84 80.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.948 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -57.04 -38.7 73.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.12 179.773 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -65.77 -32.48 74.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.11 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 61.5 mmtt -73.09 -23.43 60.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 117.1 39.24 0.82 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.506 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.463 ' CD1' ' HB2' ' A' ' 122' ' ' TYR . 71.3 mt -121.98 144.01 32.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.858 0.361 . . . . 0.0 111.165 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -84.12 111.64 19.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.923 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 27.1 pt -106.84 -23.62 4.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.129 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 41.4 mm-40 -39.06 127.69 1.66 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.905 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 115.12 -37.8 3.36 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.485 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 72.4 mt -68.49 172.04 6.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.811 0.338 . . . . 0.0 110.908 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 5.9 m -149.87 111.13 4.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -46.5 -40.18 12.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.106 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -63.14 -53.91 46.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.856 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 53.9 mm-40 -50.7 -43.82 57.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 66.0 mt -60.36 -44.84 96.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.112 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.415 ' NH1' HD11 ' A' ' 79' ' ' ILE . 0.8 OUTLIER -53.51 -42.12 67.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.882 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 16.1 m-80 -64.48 -29.09 70.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.866 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . 0.473 ' O ' ' NE2' ' A' ' 44' ' ' GLN . . . 99.13 26.13 9.06 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.524 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . 0.425 ' O ' ' C ' ' A' ' 109' ' ' LEU . 14.2 t30 -70.33 99.48 1.56 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.853 0.359 . . . . 0.0 110.882 -179.876 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.452 ' HG ' ' CD1' ' A' ' 113' ' ' LEU . 9.4 tp -36.02 -60.36 0.55 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.895 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 12.8 mmtm -39.85 -46.92 2.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 179.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -64.63 -63.56 1.09 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.08 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.417 ' O ' ' C ' ' A' ' 113' ' ' LEU . 5.4 mp -48.41 -65.33 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.132 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.452 ' CD1' ' HG ' ' A' ' 109' ' ' LEU . 96.5 mt -35.78 -39.77 0.16 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -61.43 -51.53 57.28 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.485 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.566 ' CD2' ' CD2' ' A' ' 116' ' ' PHE . 0.2 OUTLIER -50.77 -59.71 3.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.852 0.358 . . . . 0.0 110.927 -179.91 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . 0.566 ' CD2' ' CD2' ' A' ' 115' ' ' LEU . 11.0 m-85 -63.72 -32.78 74.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.886 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 21.8 t80 -57.66 -36.91 72.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.885 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 4.0 m -92.54 -52.0 4.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.864 -179.785 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 6.7 tp -41.71 -50.8 4.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.934 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 34.6 p -49.37 -44.08 44.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.863 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 66.3 mtp180 -48.38 -52.09 23.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.9 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . 0.463 ' HB2' ' CD1' ' A' ' 94' ' ' ILE . 25.8 t80 -40.2 -55.42 2.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.953 -179.867 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . 0.407 ' O ' ' C ' ' A' ' 124' ' ' GLN . 23.8 tptt -70.3 -49.04 53.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.9 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . 0.407 ' C ' ' O ' ' A' ' 123' ' ' LYS . 74.2 mt-30 -37.77 -64.47 0.39 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.905 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 22.5 mt-30 -41.64 -61.43 1.09 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.901 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -77.54 52.02 0.94 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.903 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -40.55 127.88 2.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.928 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 4.5 pm0 -71.18 146.33 92.24 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.594 0.712 . . . . 0.0 110.884 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--N 1.342 0.186 0 C-N-CA 122.697 2.265 . . . . 0.0 112.346 -179.996 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 N-CA-C 112.489 -0.245 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.5 m -66.43 148.87 51.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.922 0.392 . . . . 0.0 110.846 -179.744 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 90.4 p -113.75 136.93 52.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.851 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -90.95 -151.02 25.87 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.475 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.7 m -113.34 129.71 56.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.9 0.381 . . . . 0.0 110.796 -179.657 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.4 t -73.21 98.78 2.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.839 -179.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 170.04 114.3 0.31 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.492 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.98 38.1 4.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.757 0.313 . . . . 0.0 110.883 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 9.6 mmm180 -69.77 -53.33 18.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.866 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 34.4 mmtm -58.81 154.25 37.99 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.572 0.701 . . . . 0.0 110.891 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 132.27 22.91 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.707 2.271 . . . . 0.0 112.317 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.405 HG23 ' CE1' ' A' ' 14' ' ' HIS . 13.2 p -109.32 164.01 6.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.111 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.7 mt -118.82 -32.2 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.174 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.521 ' CD2' HD12 ' A' ' 22' ' ' ILE . 5.2 m-70 62.36 50.81 3.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.87 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.472 ' N ' ' HB2' ' A' ' 18' ' ' ASP . . . -42.61 166.61 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.463 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.414 HD23 ' CD1' ' A' ' 113' ' ' LEU . 17.4 mt -42.27 -51.32 4.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.762 0.315 . . . . 0.0 110.922 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -65.94 -40.7 91.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.918 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.472 ' HB2' ' N ' ' A' ' 15' ' ' GLY . 24.0 m-20 -60.22 -39.1 85.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.876 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 -58.7 -40.84 84.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.895 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.465 ' CE ' ' HA ' ' A' ' 42' ' ' ASP . 47.2 tttt -48.87 -33.43 10.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.906 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.464 ' HB2' ' CZ ' ' A' ' 21' ' ' ARG . 0.4 OUTLIER -75.63 -47.56 25.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.854 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.521 HD12 ' CD2' ' A' ' 14' ' ' HIS . 94.1 mt -48.4 -51.04 11.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.119 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.563 ' CD1' ' HB3' ' A' ' 116' ' ' PHE . 34.6 m-85 -68.34 -47.52 67.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.948 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.468 ' O ' ' ND2' ' A' ' 28' ' ' ASN . 26.3 m -43.77 -51.57 7.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.104 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -66.74 -39.56 87.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.895 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 66.0 t90 -53.82 -49.53 68.17 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -69.35 -39.19 78.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.114 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.486 ' OD1' ' CD2' ' A' ' 39' ' ' LEU . 1.8 m-80 -48.85 -33.22 10.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.903 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 17.2 t60 -63.75 -45.06 91.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.845 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.415 ' HA ' ' CD ' ' A' ' 33' ' ' LYS . 92.8 m-85 -69.5 -16.1 63.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.931 -179.882 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 34.5 mt -89.81 -51.36 5.54 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.901 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.73 -23.55 67.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.143 179.735 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.415 ' CD ' ' HA ' ' A' ' 30' ' ' TYR . 9.9 ptmm? -78.44 -35.92 46.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.864 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.7 m -82.9 2.07 36.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.865 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 80.94 66.21 1.64 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.493 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 4.6 m-70 -119.37 141.22 49.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.869 0.366 . . . . 0.0 110.852 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 43.3 mttm -95.24 -25.19 16.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.869 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.419 ' HB3' ' NH1' ' A' ' 38' ' ' ARG . 17.2 ttm105 -95.78 140.94 29.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.866 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.486 ' CD2' ' OD1' ' A' ' 28' ' ' ASN . 28.4 mt -115.23 -179.84 3.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.943 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 62.2 mt -99.34 115.14 39.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.159 179.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 8.3 mmp_? -95.3 -56.42 2.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.858 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.495 ' N ' ' OD2' ' A' ' 46' ' ' ASP . 0.5 OUTLIER -111.65 98.87 7.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.857 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.468 ' HG ' ' CG2' ' A' ' 112' ' ' ILE . 13.0 tp -51.76 -27.28 11.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 44.2 mt-30 -74.45 -40.46 61.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.934 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 17.9 mt-30 -100.86 7.32 43.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.942 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.495 ' OD2' ' N ' ' A' ' 42' ' ' ASP . 2.1 m-20 -97.54 -3.4 39.82 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 35.1 m -130.43 0.73 2.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.15 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.1 p -58.32 -40.82 83.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.106 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.454 ' OD2' ' CG ' ' A' ' 72' ' ' PRO . 15.6 t0 -85.09 -29.1 25.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.885 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 86.62 -11.0 65.2 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.499 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 54.5 t -69.14 -67.54 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.857 0.361 . . . . 0.0 111.148 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.7 tt -55.99 -29.03 59.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.954 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 1.1 tp -64.79 -61.99 1.85 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.931 179.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -50.16 -38.1 37.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.077 179.786 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 10.5 mt-30 -43.17 -36.03 1.58 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.884 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 4.5 mp -81.76 -53.53 11.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.123 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 30.6 mt -46.87 -58.4 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.092 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.405 ' CB ' ' O ' ' A' ' 63' ' ' GLU . 33.0 mt-30 -48.08 -24.87 1.22 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.898 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 42.1 t -85.9 -65.0 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.152 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 6.8 p -54.95 -19.36 4.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.125 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -111.43 -3.82 15.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.08 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 45.4 t30 47.6 44.89 17.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.882 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.405 ' O ' ' CB ' ' A' ' 58' ' ' GLN . 5.0 tp10 -140.53 168.58 19.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.876 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 9.4 ttmm -118.65 139.34 51.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.906 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.459 ' CG2' HG12 ' A' ' 68' ' ' ILE . 32.9 mt -102.8 96.44 4.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.103 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -70.33 -7.25 41.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.87 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -95.21 30.33 2.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.875 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.459 HG12 ' CG2' ' A' ' 65' ' ' ILE . 30.8 mm -111.73 136.18 48.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.155 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 41.6 t30 -73.25 -72.74 0.24 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 121.48 -50.93 0.81 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.499 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 17.8 m -132.32 78.59 67.88 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.601 0.715 . . . . 0.0 110.859 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.454 ' CG ' ' OD2' ' A' ' 49' ' ' ASP . 54.2 Cg_endo -69.76 132.31 23.07 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.653 2.236 . . . . 0.0 112.367 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.409 ' HD3' ' C ' ' A' ' 73' ' ' LYS . 0.0 OUTLIER -121.62 -35.58 3.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.877 179.933 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -78.98 167.07 21.63 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.891 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 13.4 tpp180 -68.27 -45.73 72.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.893 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.403 ' O ' ' N ' ' A' ' 79' ' ' ILE . 5.6 m -79.6 -33.3 41.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.897 -179.84 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 26.7 mm-40 -38.01 -46.47 1.0 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.945 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 12.6 mtt -59.82 -45.3 92.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.869 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.403 ' N ' ' O ' ' A' ' 76' ' ' SER . 37.2 mm -42.52 -55.65 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.113 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 33.4 mm-40 -49.96 -55.86 12.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -38.29 -67.05 0.22 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.898 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 20.4 mt -57.17 -37.68 57.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.115 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -54.95 -49.94 70.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.861 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -52.09 -39.11 59.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.064 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 59.3 m -67.5 -45.24 76.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.86 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 56.4 mt -60.5 -48.13 83.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.927 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 70.2 m-80 -65.91 -34.49 78.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.854 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.445 ' CZ ' ' HE2' ' A' ' 92' ' ' LYS . 3.2 t80 -65.97 -51.7 56.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.875 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 93.6 mt -53.61 -38.49 64.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.907 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -61.92 -35.15 77.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.133 179.764 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -68.68 -32.5 72.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.101 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.445 ' HE2' ' CZ ' ' A' ' 88' ' ' PHE . 42.5 mmtt -70.51 -24.28 62.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.878 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 117.9 37.05 0.91 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.504 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.462 ' CD1' ' HB2' ' A' ' 122' ' ' TYR . 66.1 mt -118.69 148.28 21.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.786 0.327 . . . . 0.0 111.17 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -89.09 112.97 24.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.921 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 18.8 pt -110.39 -13.37 11.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.106 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 23.1 mt-30 -46.95 100.31 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.897 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 144.02 -38.94 1.3 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.512 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 26.8 mt -63.89 179.26 0.53 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.859 0.362 . . . . 0.0 110.93 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 10.5 m -158.22 108.47 2.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -43.56 -42.83 5.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.111 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -57.82 -51.29 70.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.94 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -55.92 -48.22 76.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.89 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 47.5 mt -58.84 -43.83 89.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.142 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 5.8 ttt-85 -61.66 -30.07 70.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.874 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -72.98 -26.96 61.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.901 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 97.16 31.34 6.94 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.495 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 51.4 t-20 -81.6 114.64 20.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.869 0.366 . . . . 0.0 110.884 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.467 ' HG ' ' CD1' ' A' ' 113' ' ' LEU . 8.9 tp -50.83 -39.8 54.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.937 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 15.9 mmtm -59.1 -26.12 64.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.866 179.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -86.83 -60.63 1.93 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.066 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.468 ' CG2' ' HG ' ' A' ' 43' ' ' LEU . 4.5 mp -50.89 -55.13 7.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.122 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.467 ' CD1' ' HG ' ' A' ' 109' ' ' LEU . 71.8 mt -47.55 -42.38 23.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.947 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -60.6 -41.5 98.85 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.484 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.586 ' CD2' ' CD2' ' A' ' 116' ' ' PHE . 0.1 OUTLIER -62.43 -57.17 12.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.863 0.363 . . . . 0.0 110.902 -179.947 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . 0.586 ' CD2' ' CD2' ' A' ' 115' ' ' LEU . 10.9 m-85 -66.3 -17.28 64.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.869 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . 0.482 ' CD1' ' C ' ' A' ' 117' ' ' PHE . 3.6 t80 -75.82 -36.96 59.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.877 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 16.4 m -92.76 -39.48 11.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.829 -179.777 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 2.0 tp -54.03 -55.28 28.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.919 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.4 t -46.49 -44.48 17.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.856 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 33.5 mtp85 -46.85 -51.07 17.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.905 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . 0.462 ' HB2' ' CD1' ' A' ' 94' ' ' ILE . 12.3 t80 -39.54 -54.55 1.96 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 -179.828 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . 0.44 ' O ' ' C ' ' A' ' 124' ' ' GLN . 13.5 tptp -75.49 -54.59 6.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.874 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . 0.44 ' C ' ' O ' ' A' ' 123' ' ' LYS . 51.1 mm-40 -34.34 -57.29 0.5 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.941 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 14.2 tt0 -67.39 -39.9 85.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 9.0 tm0? -62.09 97.69 0.09 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.927 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 29.9 mm-40 -143.6 136.44 27.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 13.2 mt-30 -128.46 145.76 57.18 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.595 0.712 . . . . 0.0 110.918 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--N 1.341 0.139 0 C-N-CA 122.684 2.256 . . . . 0.0 112.322 -179.979 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 N-CA-C 112.461 -0.256 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 43.8 p -149.98 156.89 42.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.904 0.383 . . . . 0.0 110.875 -179.767 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 44.9 m -139.01 146.28 40.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.874 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -112.87 124.73 6.75 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.462 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.1 t -62.33 147.43 48.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.873 0.368 . . . . 0.0 110.896 -179.787 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.4 m -118.54 -50.16 2.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 -179.811 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -89.67 63.95 3.2 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.505 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 27.9 tttm -152.29 107.23 3.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.778 0.323 . . . . 0.0 110.898 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 15.8 ttm180 -174.13 119.05 0.25 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.852 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.494 ' CG ' ' HD2' ' A' ' 11' ' ' PRO . 5.4 ttpt -46.14 141.92 4.36 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.565 0.698 . . . . 0.0 110.894 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.494 ' HD2' ' CG ' ' A' ' 10' ' ' LYS . 54.0 Cg_endo -69.77 137.59 35.78 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.651 2.234 . . . . 0.0 112.387 179.874 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 7.3 p -55.32 140.31 13.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.129 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.407 HG23 ' N ' ' A' ' 14' ' ' HIS . 9.3 mm -70.66 143.94 14.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.165 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.416 ' O ' ' CG ' ' A' ' 19' ' ' GLN . 1.6 m80 -112.47 61.33 0.63 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.421 ' O ' ' C ' ' A' ' 16' ' ' LEU . . . -44.52 144.71 2.18 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.479 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.421 ' C ' ' O ' ' A' ' 15' ' ' GLY . 23.5 mt -35.98 -59.29 0.61 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.768 0.318 . . . . 0.0 110.908 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.0 pm0 -61.1 -38.71 87.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.922 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.407 ' N ' ' O ' ' A' ' 15' ' ' GLY . 70.0 m-20 -65.8 -25.57 67.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.85 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.416 ' CG ' ' O ' ' A' ' 14' ' ' HIS . 22.6 mt-30 -69.31 -40.57 77.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.912 -179.881 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.441 ' NZ ' ' OE1' ' A' ' 44' ' ' GLN . 17.0 ttmt -46.39 -56.35 6.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.917 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 13.6 ttm180 -54.87 -52.71 61.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.845 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 74.1 mt -44.86 -48.47 2.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.125 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.517 ' CG ' ' HB3' ' A' ' 116' ' ' PHE . 25.3 m-85 -68.88 -45.47 70.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.923 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.455 ' CG2' ' O ' ' A' ' 40' ' ' ILE . 66.8 m -46.65 -56.53 5.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.137 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -59.03 -38.52 79.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.877 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 72.9 t90 -58.05 -53.15 61.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.902 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.53 -37.62 83.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.139 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.433 ' ND2' ' O ' ' A' ' 24' ' ' THR . 1.0 OUTLIER -46.71 -41.08 14.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 -179.954 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.409 ' CE1' ' HB3' ' A' ' 33' ' ' LYS . 0.4 OUTLIER -57.18 -64.53 0.85 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.828 179.965 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 95.0 m-85 -45.31 -33.42 2.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.95 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 15.8 mt -72.48 -47.51 48.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.943 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -65.8 -53.44 40.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.072 179.803 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.409 ' HB3' ' CE1' ' A' ' 29' ' ' HIS . 10.1 pttp -52.47 -33.47 44.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.431 ' O ' ' C ' ' A' ' 35' ' ' GLY . 4.5 t -92.83 31.68 1.36 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.864 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.431 ' C ' ' O ' ' A' ' 34' ' ' SER . . . 35.6 60.45 0.78 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.496 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.549 ' CD2' ' HB3' ' A' ' 38' ' ' ARG . 20.3 t60 -90.42 -18.22 25.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.851 0.358 . . . . 0.0 110.85 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 33.0 mmtt 54.64 39.42 31.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.549 ' HB3' ' CD2' ' A' ' 36' ' ' HIS . 11.0 ttt85 -170.03 153.85 4.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.898 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 61.9 mt -130.8 170.06 14.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.899 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.455 ' O ' ' CG2' ' A' ' 24' ' ' THR . 66.6 mt -95.61 109.55 22.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.157 179.864 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 7.4 ttm180 -77.72 -61.08 2.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.878 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.429 ' OD1' ' N ' ' A' ' 42' ' ' ASP . 0.3 OUTLIER -114.88 113.5 24.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.91 179.935 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.549 HD13 ' CE2' ' A' ' 116' ' ' PHE . 11.1 tp -60.14 -36.93 78.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.441 ' OE1' ' NZ ' ' A' ' 20' ' ' LYS . 64.1 mt-30 -70.58 -15.62 62.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.918 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.429 ' HA ' ' CG2' ' A' ' 48' ' ' THR . 4.2 mm100 -116.18 -6.21 11.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.427 ' N ' ' O ' ' A' ' 42' ' ' ASP . 0.4 OUTLIER -84.37 -34.82 23.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.828 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 26.6 m -103.47 33.33 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.125 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.429 ' CG2' ' HA ' ' A' ' 45' ' ' GLN . 18.0 p -86.03 -35.09 20.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.143 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -104.22 -14.56 15.79 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.853 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 79.53 -14.38 17.78 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.513 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 98.2 t -61.44 -70.37 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.865 0.364 . . . . 0.0 111.074 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 2.4 tt -54.88 -36.41 65.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.1 tp -55.79 -55.84 27.66 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.89 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.416 ' O ' ' C ' ' A' ' 55' ' ' GLN . . . -54.68 -47.26 73.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.075 179.829 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.488 HE22 ' CE1' ' A' ' 36' ' ' HIS . 27.0 mt-30 -36.38 -37.77 0.13 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.973 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 3.3 mp -80.52 -56.98 5.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.133 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 41.4 mt -43.34 -55.41 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.125 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -52.3 -30.95 30.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.912 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.406 ' CG1' ' HE3' ' A' ' 33' ' ' LYS . 71.6 t -81.48 -63.41 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.13 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 7.4 p -55.23 -22.22 10.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.117 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -107.76 -6.06 17.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.074 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 57.7 t30 52.59 31.76 10.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.943 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -125.2 168.43 13.46 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.859 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.448 ' CE ' ' O ' ' A' ' 65' ' ' ILE . 0.0 OUTLIER -123.33 136.13 54.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.845 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.448 ' O ' ' CE ' ' A' ' 64' ' ' LYS . 6.4 mt -104.91 118.54 52.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.147 179.844 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -91.67 -14.49 29.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.92 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -85.0 23.52 1.21 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.846 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 48.2 mm -100.66 121.94 52.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.084 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -49.79 -45.81 50.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.845 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 98.3 -65.86 0.77 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.483 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 5.8 m -126.67 72.32 74.15 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.629 0.728 . . . . 0.0 110.886 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 133.67 26.18 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.701 2.267 . . . . 0.0 112.356 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.42 ' C ' ' HD3' ' A' ' 73' ' ' LYS . 0.0 OUTLIER -129.1 -36.36 1.76 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.902 179.921 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.418 ' CB ' ' HG3' ' A' ' 77' ' ' GLN . 28.8 t30 -66.1 178.78 1.06 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.895 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 8.9 tpp180 -72.5 -47.01 52.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 52.3 p -85.99 -31.06 22.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.862 -179.814 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.418 ' HG3' ' CB ' ' A' ' 74' ' ' ASN . 11.4 mt-30 -43.67 -37.0 2.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.911 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.445 ' SD ' ' NH1' ' A' ' 105' ' ' ARG . 17.4 mtt -75.04 -38.99 61.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.878 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.471 ' CD1' ' HA ' ' A' ' 102' ' ' GLU . 3.7 mm -55.15 -48.93 75.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.135 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -48.49 -40.94 28.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.891 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -50.24 -69.47 0.11 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.848 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 4.8 mp -50.15 -42.37 19.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.151 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -53.88 -50.55 66.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.842 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -55.6 -42.37 74.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.061 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 26.7 m -65.9 -36.77 84.32 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.831 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 92.8 mt -65.67 -43.8 88.22 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.971 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 69.2 m-80 -71.69 -36.67 70.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.917 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.477 ' CD1' ' C ' ' A' ' 88' ' ' PHE . 1.3 t80 -64.27 -42.1 96.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.858 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 29.0 mt -66.94 -42.16 85.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.95 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -56.93 -27.15 60.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.08 179.805 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -76.0 -30.63 58.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.109 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.465 ' HB3' ' CE2' ' A' ' 122' ' ' TYR . 69.0 mmtt -76.43 -11.79 59.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.913 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 106.62 31.21 4.04 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.452 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.459 ' CG1' ' HB2' ' A' ' 122' ' ' TYR . 94.4 mt -110.69 143.87 19.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.861 0.362 . . . . 0.0 111.102 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -85.17 118.91 25.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.882 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 30.7 pt -113.13 -14.51 10.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.154 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -46.93 107.03 0.1 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 131.62 -40.64 1.61 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.498 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 56.1 mt -69.3 136.84 52.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.805 0.336 . . . . 0.0 110.962 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.443 ' CB ' ' HG3' ' A' ' 103' ' ' GLU . 1.1 m -120.74 118.25 29.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.859 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -48.33 -44.95 34.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.081 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.471 ' HA ' ' CD1' ' A' ' 79' ' ' ILE . 12.9 tt0 -58.12 -43.17 87.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.914 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.443 ' HG3' ' CB ' ' A' ' 100' ' ' SER . 12.2 mt-10 -70.44 -37.27 74.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.89 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 18.9 mt -68.5 -42.58 83.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.126 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.445 ' NH1' ' SD ' ' A' ' 78' ' ' MET . 1.0 OUTLIER -61.05 -39.29 89.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.86 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 25.0 m-20 -68.19 -28.48 67.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . 0.418 ' C ' HD11 ' A' ' 112' ' ' ILE . . . 106.85 23.53 7.07 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.537 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . 0.464 ' O ' ' CD1' ' A' ' 112' ' ' ILE . 0.1 OUTLIER -63.93 99.19 0.24 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.864 0.364 . . . . 0.0 110.859 -179.819 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 17.4 tp -39.16 -52.28 1.91 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.883 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.413 ' HB2' ' ND2' ' A' ' 108' ' ' ASN . 19.1 mmtp -47.72 -44.41 27.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.902 179.84 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -69.26 -62.74 1.26 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.107 179.813 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.464 ' CD1' ' O ' ' A' ' 108' ' ' ASN . 5.2 mp -43.92 -64.11 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.117 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.412 HD22 ' N ' ' A' ' 20' ' ' LYS . 66.0 mt -41.96 -38.23 1.54 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.895 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -62.2 -37.54 94.69 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.522 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.614 ' CD2' ' CD2' ' A' ' 116' ' ' PHE . 0.2 OUTLIER -66.03 -62.85 1.27 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.891 0.376 . . . . 0.0 110.945 -179.957 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . 0.614 ' CD2' ' CD2' ' A' ' 115' ' ' LEU . 18.0 m-85 -62.36 -15.54 49.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -76.59 -41.84 44.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.847 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 49.1 m -88.46 -41.55 12.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.834 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 2.1 tp -48.64 -58.01 5.37 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.95 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 2.0 m -45.62 -43.63 12.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.819 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 63.0 mtp85 -48.42 -52.5 21.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.838 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . 0.465 ' CE2' ' HB3' ' A' ' 92' ' ' LYS . 3.9 t80 -41.99 -52.94 4.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.913 -179.842 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . 0.432 ' O ' ' C ' ' A' ' 124' ' ' GLN . 15.2 tptp -70.19 -53.53 16.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.883 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . 0.432 ' C ' ' O ' ' A' ' 123' ' ' LYS . 55.7 mm-40 -35.94 -50.06 0.66 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.879 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -71.9 -41.24 68.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.939 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 48.4 mm-40 -71.68 80.38 0.84 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 -108.33 126.41 52.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.919 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 22.9 mp0 -54.19 153.11 9.93 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.618 0.723 . . . . 0.0 110.883 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--N 1.341 0.18 0 C-N-CA 122.676 2.251 . . . . 0.0 112.344 179.974 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.461 -0.256 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.8 t -67.48 -45.41 75.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.907 0.384 . . . . 0.0 110.888 -179.766 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.6 m -131.29 152.44 50.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.831 -179.791 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -82.21 -129.33 1.21 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.491 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.4 p -113.18 144.28 42.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.837 0.351 . . . . 0.0 110.898 -179.736 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 72.2 m -68.08 -62.21 1.51 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.815 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 125.99 151.03 7.8 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.464 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.3 mtpm? -95.13 87.71 4.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.761 0.315 . . . . 0.0 110.865 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 32.5 ttm-85 66.56 38.71 4.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.868 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.493 ' CG ' ' HD2' ' A' ' 11' ' ' PRO . 10.1 tttm -87.29 141.87 32.99 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.545 0.688 . . . . 0.0 110.937 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.493 ' HD2' ' CG ' ' A' ' 10' ' ' LYS . 53.7 Cg_endo -69.75 129.5 17.72 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.663 2.242 . . . . 0.0 112.328 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 7.1 p -149.24 140.08 16.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.163 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.421 HG23 ' N ' ' A' ' 14' ' ' HIS . 7.6 mt -130.02 147.22 33.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.137 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.427 ' O ' ' C ' ' A' ' 15' ' ' GLY . 50.3 m80 -110.77 86.01 2.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.863 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.493 ' O ' ' N ' ' A' ' 18' ' ' ASP . . . -36.07 152.9 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.455 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.41 ' C ' ' O ' ' A' ' 15' ' ' GLY . 61.3 mt -37.4 -48.17 0.92 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.78 0.324 . . . . 0.0 110.902 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 59.1 mm-40 -65.83 -37.26 85.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.493 ' N ' ' O ' ' A' ' 15' ' ' GLY . 1.3 m-20 -62.12 -38.4 88.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.906 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.449 ' O ' ' C ' ' A' ' 20' ' ' LYS . 75.5 mt-30 -59.08 -51.8 68.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.923 -179.889 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.449 ' C ' ' O ' ' A' ' 19' ' ' GLN . 42.6 tttt -34.13 -49.83 0.37 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.904 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.424 ' O ' ' C ' ' A' ' 22' ' ' ILE . 31.3 ttt180 -57.69 -61.64 2.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.888 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.424 ' C ' ' O ' ' A' ' 21' ' ' ARG . 82.2 mt -36.03 -44.03 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.144 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 27.3 m-85 -75.63 -49.87 17.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.94 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.441 ' O ' ' ND2' ' A' ' 28' ' ' ASN . 98.5 m -40.8 -45.6 2.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.093 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -68.52 -38.09 80.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.869 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . 0.46 ' CZ2' ' HA ' ' A' ' 120' ' ' SER . 33.0 t90 -55.35 -57.95 9.75 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.444 ' O ' ' C ' ' A' ' 28' ' ' ASN . . . -60.93 -54.88 39.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.112 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.444 ' C ' ' O ' ' A' ' 27' ' ' ALA . 1.8 m-80 -34.33 -51.48 0.45 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 9.5 t60 -48.03 -52.01 21.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.868 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 77.6 m-85 -60.97 -39.84 91.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.932 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.455 ' O ' ' CB ' ' A' ' 36' ' ' HIS . 11.7 mt -66.09 -29.29 69.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.892 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -80.4 -51.9 8.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.058 179.818 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.0 ptmm? -56.98 -34.74 68.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 7.5 t -84.36 27.92 0.67 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.815 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 40.71 70.73 0.36 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.476 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.455 ' CB ' ' O ' ' A' ' 31' ' ' LEU . 7.8 t-80 -116.66 137.8 51.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.845 0.355 . . . . 0.0 110.862 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 10.5 ptpt -94.5 46.21 1.14 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.918 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 45.3 ttm-85 -173.6 140.29 0.78 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.843 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 82.0 mt -117.21 -174.88 2.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.917 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 86.0 mt -103.09 108.47 24.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.133 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 14.5 mmt180 -83.52 -62.98 1.44 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.919 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.495 ' N ' ' OD1' ' A' ' 46' ' ' ASP . 70.8 m-20 -112.93 98.18 7.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.867 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.517 HD11 ' CE2' ' A' ' 116' ' ' PHE . 13.3 tp -45.72 -36.31 4.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.927 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.46 ' CG ' HD13 ' A' ' 109' ' ' LEU . 27.8 mt-30 -68.85 -44.53 73.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.912 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 92.1 mt-30 -96.13 12.94 28.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.924 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.495 ' OD1' ' N ' ' A' ' 42' ' ' ASP . 0.7 OUTLIER -102.55 -33.4 9.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.902 179.938 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 34.5 m -106.76 38.42 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.165 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 23.4 p -92.8 -35.55 13.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.118 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.497 ' O ' ' CB ' ' A' ' 81' ' ' ASN . 7.0 m-20 -93.42 -18.74 22.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.855 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 84.9 -28.9 4.34 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.503 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 86.0 t -52.66 -65.8 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.846 0.355 . . . . 0.0 111.117 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 2.0 tt -53.8 -39.82 65.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.906 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 5.4 tp -54.86 -55.52 29.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -54.14 -44.0 71.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.108 179.79 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 23.1 mt-30 -40.3 -32.98 0.21 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.966 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 5.2 mp -88.06 -51.36 12.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.122 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 70.9 mt -50.25 -55.6 5.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.125 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 39.9 mt-30 -49.99 -28.4 6.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 72.2 t -81.41 -69.1 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.108 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.435 HG12 ' N ' ' A' ' 61' ' ' ALA . 7.5 p -50.07 -29.26 5.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.115 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.435 ' N ' HG12 ' A' ' 60' ' ' VAL . . . -91.9 -26.73 18.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.13 179.825 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 10.6 m-80 71.87 39.2 0.86 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.904 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -145.51 162.91 36.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.901 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 6.7 tttp -111.14 136.53 50.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.935 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.434 ' HB ' ' CG1' ' A' ' 68' ' ' ILE . 13.6 mt -96.27 113.65 31.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.111 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -76.3 -24.74 54.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.455 ' CB ' ' HB1' ' A' ' 84' ' ' ALA . 0.7 OUTLIER -82.55 44.04 0.86 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.848 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.434 ' CG1' ' HB ' ' A' ' 65' ' ' ILE . 31.3 mm -118.62 112.66 38.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.136 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.44 ' OD1' ' C ' ' A' ' 69' ' ' ASN . 13.1 t-20 -69.05 -59.67 2.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.922 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 76.79 127.34 0.29 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.474 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . 0.435 ' N ' ' CD ' ' A' ' 72' ' ' PRO . 56.1 m 66.75 55.02 0.84 Allowed Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.607 0.718 . . . . 0.0 110.899 -179.837 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.469 ' CG ' ' HG3' ' A' ' 78' ' ' MET . 53.1 Cg_endo -69.8 147.65 63.07 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.687 2.258 . . . . 0.0 112.344 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 58.4 mttt -116.98 -44.16 2.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.937 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.428 ' O ' ' N ' ' A' ' 77' ' ' GLN . 20.8 t-20 -83.98 133.31 34.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.923 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.473 ' HG2' ' CZ ' ' A' ' 105' ' ' ARG . 0.9 OUTLIER -38.77 -32.19 0.08 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.86 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.405 ' O ' ' N ' ' A' ' 79' ' ' ILE . 3.4 m -81.71 -42.86 19.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.814 -179.736 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.428 ' N ' ' O ' ' A' ' 74' ' ' ASN . 7.1 mt-30 -41.77 -27.44 0.11 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.895 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.469 ' HG3' ' CG ' ' A' ' 72' ' ' PRO . 1.5 mpt? -75.07 -44.52 47.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.405 ' N ' ' O ' ' A' ' 76' ' ' SER . 40.3 mm -41.33 -56.02 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.12 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.408 ' O ' ' C ' ' A' ' 81' ' ' ASN . 27.2 mt-10 -44.66 -60.17 2.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.93 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.497 ' CB ' ' O ' ' A' ' 49' ' ' ASP . 2.7 m-20 -37.46 -66.91 0.21 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.9 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 37.2 mt -55.82 -40.32 60.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.147 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -53.87 -52.41 60.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.853 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.455 ' HB1' ' CB ' ' A' ' 67' ' ' ASP . . . -49.66 -42.17 44.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.092 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 59.8 m -64.42 -47.85 77.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 54.0 mt -57.13 -48.57 78.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.903 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 68.6 m-80 -69.2 -41.96 76.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.555 ' CZ ' ' HE2' ' A' ' 92' ' ' LYS . 20.7 t80 -61.49 -39.51 91.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.855 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 72.9 mt -68.45 -49.06 62.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.927 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -44.43 -53.57 6.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.115 179.745 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -50.12 -32.75 16.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.112 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.555 ' HE2' ' CZ ' ' A' ' 88' ' ' PHE . 39.5 mmtm -70.95 -26.16 63.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.857 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 120.24 29.32 1.64 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.506 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.456 HG23 ' N ' ' A' ' 95' ' ' ASN . 52.0 mt -113.31 154.22 14.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.856 0.36 . . . . 0.0 111.095 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . 0.456 ' N ' HG23 ' A' ' 94' ' ' ILE . 36.5 t30 -88.06 124.55 33.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.851 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.452 HG13 ' N ' ' A' ' 97' ' ' GLN . 19.8 pt -122.53 -31.55 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.159 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.452 ' N ' HG13 ' A' ' 96' ' ' ILE . 41.5 mt-30 -35.74 -59.12 0.59 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.901 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -49.87 -46.75 40.25 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.485 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 59.4 mt -59.9 176.76 0.28 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.848 0.356 . . . . 0.0 110.891 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 4.3 m -155.7 119.57 4.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.851 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -54.11 -50.69 66.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.08 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -50.68 -54.5 22.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.875 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -56.95 -45.4 82.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.868 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 76.5 mt -58.5 -50.27 79.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.104 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.473 ' CZ ' ' HG2' ' A' ' 75' ' ' ARG . 5.8 ttt-85 -52.98 -37.22 61.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.858 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 72.0 m-80 -68.24 -28.3 67.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.891 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 96.37 28.41 9.13 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.499 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . 0.412 ' O ' ' N ' ' A' ' 111' ' ' ALA . 32.6 t30 -73.87 105.27 5.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.881 0.372 . . . . 0.0 110.902 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.46 HD13 ' CG ' ' A' ' 44' ' ' GLN . 8.6 tp -37.74 -49.75 1.17 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.892 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 29.8 mmtt -48.08 -42.24 28.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . 0.412 ' N ' ' O ' ' A' ' 108' ' ' ASN . . . -72.49 -64.09 1.02 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.083 179.829 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.469 ' CG2' ' HG ' ' A' ' 43' ' ' LEU . 5.1 mp -43.7 -60.86 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.159 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 94.3 mt -43.79 -42.12 5.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.935 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -61.36 -47.59 89.94 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.486 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.499 ' CD2' ' CD2' ' A' ' 116' ' ' PHE . 0.3 OUTLIER -55.14 -57.97 9.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.806 0.336 . . . . 0.0 110.882 -179.923 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . 0.517 ' CE2' HD11 ' A' ' 43' ' ' LEU . 10.7 m-85 -66.16 -27.97 68.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . 0.524 ' CD1' ' C ' ' A' ' 117' ' ' PHE . 1.8 t80 -64.28 -37.18 86.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.858 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 23.0 p -91.77 -48.76 6.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.862 -179.809 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 14.8 tp -42.76 -60.72 1.47 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.912 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' SER . . . . . 0.46 ' HA ' ' CZ2' ' A' ' 26' ' ' TRP . 5.8 t -37.9 -53.47 1.32 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.83 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . 0.405 ' C ' ' O ' ' A' ' 120' ' ' SER . 63.3 mtm180 -37.95 -45.54 0.88 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.846 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 36.4 t80 -41.8 -56.7 2.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.901 -179.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . 0.483 ' O ' ' CB ' ' A' ' 126' ' ' GLN . 12.6 tptp -78.25 -53.89 6.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . 0.423 ' C ' ' O ' ' A' ' 123' ' ' LYS . 43.3 mt-30 -35.42 122.63 0.62 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.893 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 5.0 mm-40 47.22 38.96 7.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.865 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . 0.483 ' CB ' ' O ' ' A' ' 123' ' ' LYS . 3.7 tp60 -76.73 -46.93 23.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.888 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -51.68 -19.37 1.55 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.928 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . 0.408 ' C ' ' OE1' ' A' ' 128' ' ' GLN . 1.2 pp0? -159.6 127.01 2.68 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.551 0.691 . . . . 0.0 110.931 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--N 1.341 0.173 0 C-N-CA 122.641 2.227 . . . . 0.0 112.38 -179.992 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 N-CA-C 112.461 -0.256 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.5 t -107.7 99.02 8.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.85 0.357 . . . . 0.0 110.902 -179.753 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.8 t -71.86 121.5 19.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.881 -179.787 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 125.33 58.03 0.17 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.5 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 87.4 p -80.21 108.69 14.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.894 0.378 . . . . 0.0 110.833 -179.727 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 80.5 p -156.34 165.27 36.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.89 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -142.52 -161.21 8.68 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.543 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.7 mmmm -116.1 163.24 16.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.762 0.315 . . . . 0.0 110.92 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 45.3 ttt85 -123.61 41.67 3.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.903 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 27.1 mmtt -148.8 148.13 26.71 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.579 0.704 . . . . 0.0 110.908 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 122.92 9.58 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.735 2.29 . . . . 0.0 112.33 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 1.3 t -126.29 148.68 30.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.118 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 4.5 mt -55.27 -33.57 31.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.146 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.43 ' HA ' ' CB ' ' A' ' 18' ' ' ASP . 14.3 m-70 61.76 49.51 4.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.854 179.873 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.457 ' O ' ' N ' ' A' ' 18' ' ' ASP . . . -45.17 165.1 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.478 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.402 ' C ' ' O ' ' A' ' 15' ' ' GLY . 40.4 mt -37.62 -53.79 1.2 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.715 0.293 . . . . 0.0 110.879 -179.88 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -55.96 -38.9 70.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.457 ' N ' ' O ' ' A' ' 15' ' ' GLY . 0.6 OUTLIER -69.58 -48.49 60.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.826 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -47.49 -41.34 20.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 50.1 tttt -48.34 -36.87 15.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 24.2 ttp180 -75.92 -59.15 2.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.851 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.401 HD11 ' CD2' ' A' ' 14' ' ' HIS . 41.5 mt -38.41 -37.73 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.131 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 -74.82 -52.05 12.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.964 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.419 ' O ' ' CG ' ' A' ' 28' ' ' ASN . 89.8 m -41.34 -53.12 3.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.145 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 31.8 t0 -60.63 -35.91 77.32 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.888 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 72.9 t90 -62.57 -44.48 96.23 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -76.44 -39.31 53.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.076 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.419 ' CG ' ' O ' ' A' ' 24' ' ' THR . 23.4 m120 -47.33 -47.34 25.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.926 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 44.3 t60 -53.29 -53.67 47.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.848 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 73.9 m-85 -57.9 -19.27 28.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.917 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 15.8 mt -88.66 -47.25 8.4 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.921 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.79 -32.82 73.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.085 179.81 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.4 ptmm? -62.93 -38.31 90.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.916 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 56.0 p -89.58 18.2 5.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.854 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 63.47 61.58 6.15 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.501 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.436 ' O ' ' C ' ' A' ' 37' ' ' LYS . 76.3 t60 -117.63 81.8 1.72 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.917 0.389 . . . . 0.0 110.852 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.436 ' C ' ' O ' ' A' ' 36' ' ' HIS . 35.9 mttp -34.19 -61.42 0.37 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.908 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.463 ' HG2' ' N ' ' A' ' 39' ' ' LEU . 57.4 ttm-85 -49.6 162.79 0.14 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.871 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.463 ' N ' ' HG2' ' A' ' 38' ' ' ARG . 50.7 mt -143.86 176.05 9.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.462 HG21 ' CB ' ' A' ' 46' ' ' ASP . 92.3 mt -98.24 114.75 36.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.126 179.858 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 14.1 mmt85 -82.88 -63.86 1.28 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.485 ' O ' ' N ' ' A' ' 45' ' ' GLN . 56.1 m-20 -114.78 100.69 8.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.842 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.448 ' C ' ' O ' ' A' ' 42' ' ' ASP . 14.9 tp -34.34 -37.12 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.903 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.419 ' N ' ' O ' ' A' ' 42' ' ' ASP . 49.8 mt-30 -63.83 -48.58 76.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.897 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.485 ' N ' ' O ' ' A' ' 42' ' ' ASP . 34.2 mm-40 -76.15 -25.98 55.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.933 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.462 ' CB ' HG21 ' A' ' 40' ' ' ILE . 0.2 OUTLIER -66.91 -11.58 56.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.876 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.401 HG22 ' CG2' ' A' ' 104' ' ' ILE . 17.9 m -129.18 38.12 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.11 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.424 HG21 ' NE2' ' A' ' 45' ' ' GLN . 1.9 p -90.68 -33.86 15.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.182 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 30.4 p-10 -107.05 -15.39 14.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.838 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 85.41 -21.92 12.0 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.526 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 42.8 t -58.26 -67.56 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.925 0.393 . . . . 0.0 111.097 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -55.04 -33.1 62.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.947 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 2.0 tp -63.11 -51.0 68.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.883 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -62.91 -33.83 76.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.094 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.423 HE22 ' CE1' ' A' ' 36' ' ' HIS . 18.3 mt-30 -48.13 -26.14 1.75 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.868 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 5.0 mp -92.86 -57.3 4.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.159 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 57.4 mt -42.69 -54.77 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.154 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -50.44 -34.98 26.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 94.2 t -76.89 -65.26 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.104 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 6.6 p -54.34 -19.61 3.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.135 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -106.46 -9.21 16.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.103 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 62.8 t30 54.0 39.9 31.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -139.79 165.18 27.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.907 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 27.0 ttpt -116.75 137.71 52.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.863 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.425 ' HB ' ' CG1' ' A' ' 68' ' ' ILE . 17.4 mt -100.75 110.56 28.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.115 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -78.81 -10.58 59.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.871 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -94.41 38.88 1.09 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.887 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.425 ' CG1' ' HB ' ' A' ' 65' ' ' ILE . 23.2 mm -115.68 110.7 32.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.104 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 67.0 t30 -41.95 -48.89 4.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 100.44 -64.07 0.59 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.526 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 40.8 t -126.09 83.53 63.19 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.602 0.715 . . . . 0.0 110.853 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 137.37 35.28 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.696 2.264 . . . . 0.0 112.37 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 5.4 mtmp? -124.7 -34.23 2.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.855 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -90.46 169.4 11.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.887 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 4.2 ptp180 -71.44 -26.15 62.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.902 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.433 ' O ' ' N ' ' A' ' 79' ' ' ILE . 63.1 m -91.05 -36.27 14.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 -179.813 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -45.98 -26.62 0.75 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.972 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 18.7 mtt -81.85 -31.86 31.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.854 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.433 ' N ' ' O ' ' A' ' 76' ' ' SER . 26.9 mm -53.48 -50.78 47.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.129 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -55.7 -48.17 75.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.91 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 7.5 m-20 -45.41 -68.66 0.18 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.903 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 13.7 mt -52.56 -36.69 22.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.138 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -60.75 -44.53 96.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -55.77 -41.69 74.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.145 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 60.3 m -65.97 -42.5 89.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 73.5 mt -62.38 -43.26 99.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.881 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 69.0 m-80 -73.04 -38.66 66.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.877 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.483 ' CD1' ' C ' ' A' ' 88' ' ' PHE . 1.3 t80 -63.04 -38.07 89.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 26.8 mt -68.52 -49.42 59.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.951 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -45.95 -46.87 16.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.118 179.786 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -59.13 -30.97 68.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.124 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.422 ' HB3' ' CE2' ' A' ' 122' ' ' TYR . 69.3 mmtt -75.58 -14.6 60.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.91 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 107.03 38.99 2.06 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.464 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 73.4 mt -120.54 129.38 75.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.852 0.358 . . . . 0.0 111.132 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -72.09 112.08 7.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 30.9 pt -108.27 -21.1 5.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.093 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 16.9 mt-30 -42.77 119.17 1.4 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.949 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 121.94 -35.24 3.6 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.483 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 49.1 mt -69.01 171.86 7.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.851 0.358 . . . . 0.0 110.908 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 31.1 m -150.95 106.12 3.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.837 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -43.23 -40.61 3.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.149 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -60.24 -53.52 56.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 22.5 mm-40 -53.8 -44.73 70.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.872 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.401 ' CG2' HG22 ' A' ' 47' ' ' VAL . 41.6 mt -58.03 -42.34 82.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.11 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 10.1 ttt85 -60.65 -33.29 72.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 63.5 m-20 -76.31 -18.37 58.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 90.74 35.82 7.1 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.482 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . 0.425 ' O ' ' CD1' ' A' ' 112' ' ' ILE . 11.3 t-20 -78.47 100.16 6.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.891 0.377 . . . . 0.0 110.871 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.406 HD12 ' CG ' ' A' ' 44' ' ' GLN . 4.4 tp -39.92 -65.07 0.43 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.927 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 12.5 mmtp -38.38 -34.23 0.12 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.94 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -76.36 -63.05 1.42 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.107 179.797 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.425 ' CD1' ' O ' ' A' ' 108' ' ' ASN . 5.3 mp -47.76 -58.83 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.134 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 75.8 mt -40.51 -47.28 2.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.915 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -55.51 -42.91 85.24 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.434 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.57 ' CD2' ' CD2' ' A' ' 116' ' ' PHE . 0.1 OUTLIER -63.45 -57.88 8.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.853 0.358 . . . . 0.0 110.914 -179.922 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . 0.57 ' CD2' ' CD2' ' A' ' 115' ' ' LEU . 11.1 m-85 -66.15 -17.94 65.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.878 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . 0.473 ' CD1' ' C ' ' A' ' 117' ' ' PHE . 4.0 t80 -73.47 -36.83 65.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.874 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 8.0 t -93.27 -46.72 7.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.871 -179.792 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 5.5 tp -43.74 -53.04 6.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.969 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 56.7 p -52.27 -32.91 39.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.844 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . 0.456 ' CZ ' ' HB3' ' A' ' 121' ' ' ARG . 9.5 mtp-105 -61.07 -49.21 78.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.868 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . 0.422 ' CE2' ' HB3' ' A' ' 92' ' ' LYS . 4.8 t80 -41.62 -56.12 2.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.903 -179.854 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 9.1 tptp -63.24 -43.59 97.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.875 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . 0.427 ' O ' ' C ' ' A' ' 125' ' ' GLN . 18.7 mm100 -71.11 171.62 10.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.929 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . 0.427 ' C ' ' O ' ' A' ' 124' ' ' GLN . 31.0 mm-40 35.75 36.21 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.915 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -106.97 44.47 1.06 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 4.5 pp0? -125.68 36.7 4.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.941 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 42.9 tt0 -95.15 122.64 59.38 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.58 0.705 . . . . 0.0 110.887 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--N 1.341 0.17 0 C-N-CA 122.671 2.247 . . . . 0.0 112.327 179.964 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.365 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 42.3 mt -41.29 -55.33 2.74 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.792 0.33 . . . . 0.0 110.897 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -58.02 -37.95 75.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.909 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -65.11 -38.34 90.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.864 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.434 ' O ' ' C ' ' A' ' 20' ' ' LYS . 25.1 mt-30 -60.57 -50.16 74.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.87 -179.872 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.554 ' HB2' HD11 ' A' ' 109' ' ' LEU . 34.4 tttt -35.05 -36.53 0.06 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.885 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.446 ' O ' ' C ' ' A' ' 22' ' ' ILE . 1.6 tmt_? -75.84 -64.43 1.09 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.878 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.446 ' C ' ' O ' ' A' ' 21' ' ' ARG . 91.2 mt -33.85 -50.51 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.119 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.527 ' CD1' ' HB3' ' A' ' 116' ' ' PHE . 26.6 m-85 -64.1 -49.75 71.02 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.94 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.536 HG22 ' ND2' ' A' ' 28' ' ' ASN . 41.5 m -43.64 -48.09 7.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.109 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 34.5 t0 -65.4 -43.85 89.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.858 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' TRP . . . . . 0.419 ' CZ2' ' HA ' ' A' ' 120' ' ' SER . 91.7 t90 -55.02 -41.05 70.84 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.911 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.705 ' HB1' HD13 ' A' ' 56' ' ' ILE . . . -76.8 -56.64 4.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.113 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.536 ' ND2' HG22 ' A' ' 24' ' ' THR . 32.0 m-20 -38.7 -39.71 0.53 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.863 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -54.95 -44.2 74.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.858 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.648 ' CZ ' HG23 ' A' ' 60' ' ' VAL . 72.4 m-85 -69.86 -24.01 63.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 -179.795 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.566 HD11 HD21 ' A' ' 52' ' ' LEU . 15.2 mt -79.82 -56.92 3.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.934 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -57.0 -49.65 75.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.103 179.783 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 9.1 ptmt -46.62 -38.7 9.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.9 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 37.9 p -90.85 31.92 1.03 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 51.85 61.5 6.42 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.518 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.406 ' O ' ' C ' ' A' ' 37' ' ' LYS . 47.1 t-80 -119.39 85.47 2.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.809 0.338 . . . . 0.0 110.864 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 36' ' ' HIS . 35.2 mttt -37.59 -71.28 0.08 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.865 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 26.7 ttm180 -43.85 150.54 0.25 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.894 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.474 HD22 ' OD1' ' A' ' 28' ' ' ASN . 39.1 mt -133.17 179.91 5.9 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.903 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.823 HD11 HD11 ' A' ' 56' ' ' ILE . 95.9 mt -96.63 107.59 20.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.127 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 13.5 mmm-85 -83.66 -58.11 2.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.877 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.404 ' O ' ' N ' ' A' ' 45' ' ' GLN . 0.6 OUTLIER -115.0 101.33 8.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.863 179.943 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.538 HD11 ' CE2' ' A' ' 116' ' ' PHE . 13.7 tp -44.93 -41.71 7.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.934 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.547 ' CD ' HD13 ' A' ' 109' ' ' LEU . 31.3 mt-30 -66.35 -29.64 69.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.931 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.404 ' N ' ' O ' ' A' ' 42' ' ' ASP . 10.4 mt-30 -102.83 7.11 39.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.924 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.589 ' OD1' HD22 ' A' ' 52' ' ' LEU . 0.4 OUTLIER -100.64 -9.27 22.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.86 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.547 HG12 ' HB2' ' A' ' 53' ' ' LEU . 29.8 m -130.4 34.3 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.149 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 22.4 p -92.02 -25.02 19.01 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.131 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -108.81 -14.55 14.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.87 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 80.11 -17.08 10.29 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.456 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 91.0 t -61.79 -66.0 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.858 0.361 . . . . 0.0 111.126 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.61 HD23 ' O ' ' A' ' 52' ' ' LEU . 1.8 tt -59.32 -27.59 66.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.906 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.559 HD11 HD11 ' A' ' 57' ' ' ILE . 1.8 tp -65.76 -53.57 38.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.919 179.853 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.24 -37.04 81.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.099 179.783 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.501 ' O ' HG23 ' A' ' 59' ' ' VAL . 19.5 mt-30 -48.39 -22.89 0.78 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.94 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.823 HD11 HD11 ' A' ' 40' ' ' ILE . 11.6 mt -95.49 -48.83 12.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.107 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.559 HD11 HD11 ' A' ' 53' ' ' LEU . 47.2 mt -52.65 -54.66 14.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.148 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -53.61 -21.41 6.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.898 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.501 HG23 ' O ' ' A' ' 55' ' ' GLN . 85.5 t -86.24 -67.62 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.077 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.648 HG23 ' CZ ' ' A' ' 30' ' ' TYR . 13.9 p -52.95 -35.39 22.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.091 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -85.83 -24.47 26.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.059 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 8.3 m-80 68.18 38.89 2.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.914 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -139.55 160.26 40.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.2 139.27 41.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.4 ' HB ' ' CG1' ' A' ' 68' ' ' ILE . 20.1 mt -108.29 102.27 13.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.113 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -74.64 -14.46 60.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.916 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 64.0 m-20 -87.54 31.32 0.75 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.85 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.4 ' CG1' ' HB ' ' A' ' 65' ' ' ILE . 37.0 mm -111.83 118.62 58.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.158 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -44.83 -53.74 7.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.893 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 95.49 -47.95 1.9 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.542 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 92.1 m -129.53 80.87 71.07 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.672 0.748 . . . . 0.0 110.868 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.425 ' HB2' ' CG ' ' A' ' 78' ' ' MET . 53.7 Cg_endo -69.75 132.23 22.91 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.646 2.231 . . . . 0.0 112.303 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 22.9 mttt -127.95 -49.84 1.34 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 20.4 t30 -81.46 161.42 23.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.857 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.438 ' HB2' ' NH2' ' A' ' 105' ' ' ARG . 0.3 OUTLIER -61.96 -29.12 70.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.888 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 76.3 p -84.74 -45.46 12.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.876 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -41.77 -48.0 4.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.895 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' MET . . . . . 0.425 ' CG ' ' HB2' ' A' ' 72' ' ' PRO . 14.4 mtt -54.75 -37.95 66.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.836 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 4.3 mm -53.28 -59.07 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.169 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -41.14 -43.16 2.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.939 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -54.01 -66.0 0.47 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.939 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 16.1 mt -56.52 -40.46 68.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.087 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -57.15 -51.07 70.8 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.806 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -54.7 -38.2 66.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.085 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 49.3 m -66.23 -40.29 90.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.908 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 67.8 mt -65.15 -49.53 69.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.897 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 57.1 m-80 -64.52 -35.25 80.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.915 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.41 ' CE1' ' CG2' ' A' ' 57' ' ' ILE . 1.7 t80 -67.13 -36.22 81.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.423 HD22 HD12 ' A' ' 94' ' ' ILE . 27.8 mt -72.46 -45.43 59.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -50.84 -44.88 59.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.094 179.777 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -60.89 -28.79 69.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.135 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 25.9 mmtp -77.88 -10.27 59.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 102.79 27.73 6.56 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.51 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.638 HD11 ' HB2' ' A' ' 122' ' ' TYR . 78.2 mt . . . . . 0 C--N 1.329 -0.287 0 CA-C-O 120.893 0.378 . . . . 0.0 111.122 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 71.7 mt -62.88 -178.41 0.21 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.85 0.357 . . . . 0.0 110.899 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 13.1 m -162.95 107.3 1.09 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.844 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -42.94 -44.14 4.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.112 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -57.78 -52.44 65.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.878 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 32.8 mm-40 -55.03 -42.04 72.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.401 HG22 ' O ' ' A' ' 47' ' ' VAL . 23.2 mt -65.15 -41.7 92.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.126 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.438 ' NH2' ' HB2' ' A' ' 75' ' ' ARG . 15.8 ttt-85 -61.03 -34.71 75.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.835 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 25.7 m-20 -72.62 -26.56 61.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.895 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 100.82 21.15 12.61 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.446 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' ASN . . . . . 0.721 ' O ' HD12 ' A' ' 112' ' ' ILE . 60.3 t30 -67.16 106.85 2.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.879 0.371 . . . . 0.0 110.923 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.554 HD11 ' HB2' ' A' ' 20' ' ' LYS . 10.3 tp -42.86 -63.95 0.71 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.907 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 110' ' ' LYS . . . . . 0.447 ' C ' ' O ' ' A' ' 109' ' ' LEU . 15.9 mmtm -34.32 -36.02 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 179.825 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 111' ' ' ALA . . . . . 0.44 ' N ' ' O ' ' A' ' 109' ' ' LEU . . . -78.0 -72.79 0.35 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.13 179.806 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.721 HD12 ' O ' ' A' ' 108' ' ' ASN . 5.3 mp -37.82 -52.28 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.149 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 17.0 mt -52.53 -46.91 66.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.905 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -57.69 -35.7 75.32 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.511 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.959 HD23 ' N ' ' A' ' 116' ' ' PHE . 0.2 OUTLIER -66.46 -57.21 7.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.839 0.352 . . . . 0.0 110.942 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.959 ' N ' HD23 ' A' ' 115' ' ' LEU . 12.4 m-85 -65.64 -14.76 61.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.879 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 117' ' ' PHE . . . . . 0.449 ' CD1' ' C ' ' A' ' 117' ' ' PHE . 3.3 t80 -78.56 -31.89 47.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 8.8 p -93.8 -42.4 9.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.877 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 12.5 tp -49.58 -59.1 4.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.928 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 120' ' ' SER . . . . . 0.419 ' HA ' ' CZ2' ' A' ' 26' ' ' TRP . 41.4 t -44.3 -40.82 5.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 39.5 mtp85 -51.07 -54.45 24.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.896 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 122' ' ' TYR . . . . . 0.638 ' HB2' HD11 ' A' ' 94' ' ' ILE . 1.3 t80 -40.57 -50.56 2.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.914 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 21.5 tptt -67.4 -55.12 15.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.858 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 59.3 mm-40 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.893 -180.0 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.47 ' N ' ' HB2' ' A' ' 18' ' ' ASP . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.465 ' HB3' HD23 ' A' ' 109' ' ' LEU . 87.5 mt -43.87 -60.91 1.62 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.818 0.342 . . . . 0.0 110.957 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.491 ' HA ' HD21 ' A' ' 109' ' ' LEU . 1.5 pm0 -55.64 -36.68 67.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.891 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.47 ' HB2' ' N ' ' A' ' 15' ' ' GLY . 0.9 OUTLIER -64.21 -41.45 97.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.85 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.408 ' O ' ' C ' ' A' ' 20' ' ' LYS . 35.5 mt-30 -53.52 -51.69 62.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 19' ' ' GLN . 33.5 tttt -36.25 -46.28 0.51 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.918 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.444 ' HD2' ' N ' ' A' ' 22' ' ' ILE . 1.4 tmm_? -60.25 -57.85 11.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.444 ' N ' ' HD2' ' A' ' 21' ' ' ARG . 72.9 mt -44.84 -43.47 2.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.145 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 25.2 m-85 -73.05 -46.23 52.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.569 HG23 HG22 ' A' ' 40' ' ' ILE . 53.7 m -48.06 -55.85 9.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.135 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -64.09 -32.67 74.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.852 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 81.4 t90 -61.52 -47.26 86.42 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.907 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.506 ' HB1' HG12 ' A' ' 56' ' ' ILE . . . -70.52 -43.42 69.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.074 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.449 ' OD1' HD22 ' A' ' 39' ' ' LEU . 40.9 m-20 -46.65 -52.01 14.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.921 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -41.18 -43.9 2.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.86 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.522 ' CE2' ' HB ' ' A' ' 60' ' ' VAL . 96.8 m-85 -66.43 -44.64 82.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.915 -179.838 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.585 HD11 HD21 ' A' ' 52' ' ' LEU . 57.0 mt -62.86 -39.02 93.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.948 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -71.14 -52.51 18.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.1 179.774 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.467 ' NZ ' HG12 ' A' ' 59' ' ' VAL . 5.4 pttm -60.18 -30.81 69.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.911 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.9 t -80.78 -7.65 59.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.848 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.99 63.04 1.85 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.522 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 2.6 t-80 -116.62 156.6 26.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.864 0.364 . . . . 0.0 110.847 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 54.4 mmtt -94.0 -72.85 0.59 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.879 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 8.3 ttm-85 -63.59 131.69 48.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.906 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.449 HD22 ' OD1' ' A' ' 28' ' ' ASN . 39.6 mt -100.48 -175.14 2.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.943 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.569 HG22 HG23 ' A' ' 24' ' ' THR . 57.9 mt -96.71 102.57 13.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.164 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.404 ' N ' ' OD2' ' A' ' 46' ' ' ASP . 15.5 mmt-85 -79.46 -64.26 1.23 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.836 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -115.12 98.15 6.62 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.858 HD11 ' CE2' ' A' ' 116' ' ' PHE . 14.7 tp -43.52 -31.9 0.81 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.911 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.461 ' HG2' HD13 ' A' ' 112' ' ' ILE . 59.6 mt-30 -69.98 -40.22 75.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.639 ' HA ' HG23 ' A' ' 48' ' ' THR . 6.7 mm100 -84.57 -56.48 3.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.954 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.404 ' OD2' ' N ' ' A' ' 41' ' ' ARG . 28.4 m-20 -42.69 -23.66 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.839 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.726 HG22 ' O ' ' A' ' 43' ' ' LEU . 10.3 m -108.55 39.78 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.116 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.639 HG23 ' HA ' ' A' ' 45' ' ' GLN . 18.9 p -99.57 -27.43 13.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.128 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -108.04 -17.0 14.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 86.51 -21.31 18.51 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.509 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 70.0 t -54.55 -70.55 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.86 0.362 . . . . 0.0 111.138 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.662 ' O ' HD12 ' A' ' 56' ' ' ILE . 2.3 tt -54.61 -37.56 65.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.941 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.743 HD11 HD11 ' A' ' 57' ' ' ILE . 1.5 tp -56.3 -46.91 79.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.94 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -67.85 -38.99 83.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.071 179.82 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.7 ' O ' HG23 ' A' ' 59' ' ' VAL . 89.9 mt-30 -41.57 -30.23 0.21 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.921 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.662 HD12 ' O ' ' A' ' 52' ' ' LEU . 5.0 mp -92.14 -58.08 3.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.102 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.743 HD11 HD11 ' A' ' 53' ' ' LEU . 61.7 mt -39.22 -51.18 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.147 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 -60.58 -34.03 73.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.909 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.7 HG23 ' O ' ' A' ' 55' ' ' GLN . 69.4 t -74.57 -58.51 4.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.144 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.522 ' HB ' ' CE2' ' A' ' 30' ' ' TYR . 6.1 p -58.83 -25.95 30.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.08 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -98.53 -18.56 18.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.091 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 7.5 m120 65.82 30.78 9.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -133.24 159.76 39.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.847 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -108.06 137.5 45.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.886 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.41 ' HB ' ' CG1' ' A' ' 68' ' ' ILE . 35.6 mt -99.68 102.26 13.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.129 179.846 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -71.85 -9.66 58.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.839 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 46.1 t0 -94.32 34.98 1.22 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.863 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.41 ' CG1' ' HB ' ' A' ' 65' ' ' ILE . 29.3 mm -114.85 121.51 67.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.162 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 44.1 t30 -54.56 -52.96 60.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 101.28 -52.32 0.9 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.469 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 78.1 m -133.38 80.98 56.51 Favored Pre-proline 0 C--N 1.327 -0.378 0 CA-C-O 121.644 0.735 . . . . 0.0 110.853 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 122.79 9.46 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.693 2.262 . . . . 0.0 112.325 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 7.1 mmmm -110.96 -37.86 5.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.429 ' HB2' ' CG ' ' A' ' 77' ' ' GLN . 64.5 m-20 -79.92 166.57 21.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.916 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 1.1 tmt_? -72.69 -34.1 66.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.2 m -86.59 -29.02 22.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.429 ' CG ' ' HB2' ' A' ' 74' ' ' ASN . 6.4 mm-40 -48.19 -39.4 20.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.879 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 12.8 mtt -61.21 -43.1 99.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.848 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 20.8 mm -45.21 -58.0 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.149 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.418 ' O ' ' C ' ' A' ' 81' ' ' ASN . 20.6 mt-10 -44.18 -60.47 1.88 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.85 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.418 ' C ' ' O ' ' A' ' 80' ' ' GLU . 5.2 m-20 -36.16 -72.29 0.06 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 22.4 mt -48.93 -38.17 10.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.177 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -57.76 -49.99 74.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.897 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -52.59 -39.25 61.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.142 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 57.9 m -65.76 -37.79 87.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.885 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 82.0 mt -68.23 -42.83 79.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 69.2 m-80 -75.21 -33.74 61.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.88 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 12.3 t80 -67.92 -31.19 70.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.907 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 42.2 mt -79.12 -45.47 19.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.923 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -53.25 -42.92 66.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.113 179.805 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -60.55 -20.8 61.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.111 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 21.8 mmtp -86.56 -16.6 36.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 112.49 33.38 2.11 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.46 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.567 HD11 ' HB2' ' A' ' 122' ' ' TYR . 67.1 mt . . . . . 0 C--N 1.329 -0.326 0 CA-C-O 120.886 0.374 . . . . 0.0 111.096 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 39.3 mt -68.07 154.54 41.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.787 0.327 . . . . 0.0 110.921 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 7.0 m -134.64 108.16 7.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.829 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -43.52 -38.56 2.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.139 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -61.03 -53.35 58.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -52.82 -44.82 66.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.869 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 17.4 mt -59.1 -46.44 91.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.158 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 18.8 ttt-85 -58.23 -35.67 72.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.892 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 84.3 m-20 -72.61 -22.79 60.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 93.35 36.49 5.9 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.477 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' ASN . . . . . 0.761 ' O ' HD12 ' A' ' 112' ' ' ILE . 4.0 t-20 -80.9 102.23 9.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.882 0.372 . . . . 0.0 110.869 -179.853 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.491 HD21 ' HA ' ' A' ' 17' ' ' GLU . 2.6 tp -37.87 -55.3 1.21 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 12.6 mmtp -45.42 -40.75 8.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' ALA . . . . . 0.401 ' N ' ' O ' ' A' ' 108' ' ' ASN . . . -70.5 -63.66 1.05 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.14 179.793 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.761 HD12 ' O ' ' A' ' 108' ' ' ASN . 5.3 mp -46.75 -61.45 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.132 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 85.1 mt -44.82 -45.3 10.05 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.923 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -58.34 -32.91 68.95 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.511 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 1.02 HD23 ' N ' ' A' ' 116' ' ' PHE . 0.1 OUTLIER -73.26 -58.44 3.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.816 0.341 . . . . 0.0 110.916 -179.933 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 1.02 ' N ' HD23 ' A' ' 115' ' ' LEU . 12.1 m-85 -63.58 -20.48 65.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.851 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 12.8 t80 -70.54 -33.07 70.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 5.0 m -93.8 -43.6 8.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 10.4 tp -49.03 -57.83 5.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.928 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.3 t -42.34 -45.7 4.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.838 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 35.5 mtp85 -47.45 -50.94 21.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.863 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 122' ' ' TYR . . . . . 0.567 ' HB2' HD11 ' A' ' 94' ' ' ILE . 2.2 t80 -47.47 -51.35 20.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.967 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 27.9 tptt -64.21 -48.57 75.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.87 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.929 179.963 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.411 ' O ' ' N ' ' A' ' 18' ' ' ASP . . . . . . . . 0 N--CA 1.452 -0.287 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 76.0 mt -42.95 -46.6 5.47 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.768 0.318 . . . . 0.0 110.877 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -63.4 -32.59 74.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.88 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.411 ' N ' ' O ' ' A' ' 15' ' ' GLY . 8.5 m-20 -74.05 -33.96 63.9 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.407 ' O ' ' C ' ' A' ' 20' ' ' LYS . 22.4 mt-30 -64.06 -49.72 71.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.905 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.531 ' O ' HD22 ' A' ' 43' ' ' LEU . 31.2 tttt -37.39 -47.55 0.87 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.931 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.41 ' O ' ' N ' ' A' ' 24' ' ' THR . 5.5 tmm_? -67.15 -58.79 4.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 94.5 mt -40.44 -45.35 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.157 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.441 ' CG ' ' HB3' ' A' ' 116' ' ' PHE . 19.5 m-85 -70.08 -36.52 74.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.902 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.41 ' N ' ' O ' ' A' ' 21' ' ' ARG . 70.5 m -56.62 -66.54 0.42 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.154 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -48.64 -33.44 9.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.879 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' TRP . . . . . 0.566 ' CZ2' ' HA ' ' A' ' 120' ' ' SER . 90.3 t90 -65.33 -51.86 57.71 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.926 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.718 ' HB2' ' CE1' ' A' ' 116' ' ' PHE . . . -68.19 -51.99 39.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.132 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.589 ' OD1' HD12 ' A' ' 40' ' ' ILE . 1.3 m-20 -46.85 -40.41 13.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.85 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -51.4 -36.73 44.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.84 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.491 ' HB2' HG23 ' A' ' 56' ' ' ILE . 71.8 m-85 -73.03 -19.51 61.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.94 -179.84 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.772 HD11 HD21 ' A' ' 52' ' ' LEU . 32.0 mt -84.29 -42.16 16.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.947 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -72.21 -28.08 62.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.129 179.77 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 3.4 ptmm? -73.85 -39.72 63.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.862 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 31.4 m -82.28 12.79 4.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.868 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 61.65 52.92 47.68 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.43 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.619 ' CE1' ' HB3' ' A' ' 38' ' ' ARG . 44.1 t-80 -93.34 134.04 35.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.84 0.352 . . . . 0.0 110.835 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 22.7 mmtm -86.98 50.97 2.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.903 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.619 ' HB3' ' CE1' ' A' ' 36' ' ' HIS . 23.8 ttm180 -175.62 163.45 2.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.866 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 50.0 mt -137.41 -178.06 5.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.93 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.794 HD11 HD11 ' A' ' 56' ' ' ILE . 81.8 mt -104.18 111.56 34.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.152 179.817 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 3.3 tpp85 -86.19 -61.05 1.83 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.872 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.495 ' O ' ' N ' ' A' ' 46' ' ' ASP . 3.3 m-20 -115.1 107.59 15.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.852 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.571 HD11 ' CE2' ' A' ' 116' ' ' PHE . 13.2 tp -54.58 -39.88 68.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.918 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.572 ' CD ' HD13 ' A' ' 109' ' ' LEU . 32.7 mt-30 -76.11 -1.98 28.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 70.2 mt-30 -129.89 -1.65 4.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.903 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.708 ' OD1' HG13 ' A' ' 47' ' ' VAL . 0.4 OUTLIER -93.01 -16.23 25.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.833 179.948 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.708 HG13 ' OD1' ' A' ' 46' ' ' ASP . 18.0 m -118.02 34.09 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.085 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 37.7 p -92.71 -33.14 14.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.14 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -97.68 -10.77 24.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.896 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 70.16 -1.74 17.2 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.485 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 66.8 t -74.12 -69.39 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.814 0.34 . . . . 0.0 111.157 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.772 HD21 HD11 ' A' ' 31' ' ' LEU . 1.7 tt -56.29 -35.65 67.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.944 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.579 HD11 HD11 ' A' ' 57' ' ' ILE . 6.0 tp -52.52 -58.81 5.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.954 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -53.82 -46.73 71.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.1 179.809 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.509 ' O ' HG23 ' A' ' 59' ' ' VAL . 36.5 mt-30 -41.72 -28.04 0.13 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.92 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.794 HD11 HD11 ' A' ' 40' ' ' ILE . 17.4 mt -91.35 -48.45 13.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.167 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.579 HD11 HD11 ' A' ' 53' ' ' LEU . 62.7 mt -54.45 -55.9 12.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.116 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -48.69 -30.71 5.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.92 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.509 HG23 ' O ' ' A' ' 55' ' ' GLN . 89.5 t -76.61 -66.31 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.087 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 5.9 p -53.67 -26.86 14.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.134 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -97.22 -16.21 20.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.101 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 11.8 m-80 60.92 31.19 19.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.901 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -129.79 163.23 26.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.872 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 4.6 ttmt -113.13 136.54 52.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.904 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.443 ' CG2' HG12 ' A' ' 68' ' ' ILE . 19.4 mt -103.07 103.45 15.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.142 179.858 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -75.7 -12.38 60.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.862 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 29.6 m-20 -91.73 35.1 0.96 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.875 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.443 HG12 ' CG2' ' A' ' 65' ' ' ILE . 40.8 mm -114.4 126.39 71.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.133 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 56.9 t30 -57.85 -70.88 0.12 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.927 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 112.2 -46.39 1.18 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.518 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 8.8 m -133.96 81.64 51.26 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.629 0.728 . . . . 0.0 110.862 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 140.63 43.13 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.679 2.253 . . . . 0.0 112.368 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 71.4 mttt -129.81 -32.76 1.86 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.905 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -93.51 168.83 10.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.902 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -71.34 -28.88 64.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.904 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.426 ' O ' ' C ' ' A' ' 77' ' ' GLN . 82.9 p -90.11 -40.76 12.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.857 -179.802 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.426 ' C ' ' O ' ' A' ' 76' ' ' SER . 7.2 mm-40 -36.11 -40.96 0.23 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.903 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' MET . . . . . 0.408 ' O ' ' C ' ' A' ' 79' ' ' ILE . 20.2 mtt -62.81 -50.07 72.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.419 ' N ' ' O ' ' A' ' 76' ' ' SER . 36.0 mm -37.38 -54.72 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.104 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 39.6 mm-40 -52.12 -45.34 64.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.905 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -51.08 -63.32 1.17 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.883 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 17.5 mt -59.92 -38.53 76.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.145 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -57.4 -48.48 78.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.847 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -52.53 -41.94 63.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.129 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 58.7 m -65.18 -40.49 94.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 34.7 mt -67.11 -45.72 76.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.914 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 69.2 m-80 -67.37 -35.12 78.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.898 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.461 ' CD1' ' C ' ' A' ' 88' ' ' PHE . 1.4 t80 -67.6 -42.84 81.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.879 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 30.0 mt -66.56 -40.36 88.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.9 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -53.23 -41.42 65.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.124 179.781 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -62.67 -9.8 10.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.089 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 51.3 mmtt -97.45 -13.05 22.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 110.3 21.81 6.77 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.494 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.667 HD11 ' HB2' ' A' ' 122' ' ' TYR . 64.0 mt . . . . . 0 C--N 1.328 -0.337 0 CA-C-O 120.867 0.365 . . . . 0.0 111.14 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.373 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 63.3 mt -66.04 165.17 13.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.808 0.337 . . . . 0.0 110.932 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 17.0 m -141.62 106.56 4.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.852 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -44.94 -44.25 9.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.137 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -58.85 -53.36 59.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.874 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -53.68 -50.55 65.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.85 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.426 HG22 ' O ' ' A' ' 47' ' ' VAL . 42.4 mt -52.08 -44.49 39.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.114 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 52.1 ttt-85 -56.96 -36.22 70.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.895 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 46.1 m-80 -73.38 -19.57 60.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.889 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 94.8 9.83 58.23 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.51 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' ASN . . . . . 0.636 ' O ' HD12 ' A' ' 112' ' ' ILE . 27.6 t-20 -52.69 107.28 0.21 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.905 0.384 . . . . 0.0 110.883 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.572 HD13 ' CD ' ' A' ' 44' ' ' GLN . 16.9 tp -45.5 -58.9 3.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.959 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 9.0 mmtp -42.76 -24.19 0.06 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 179.776 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' ALA . . . . . 0.454 ' HB3' ' O ' ' A' ' 108' ' ' ASN . . . -87.44 -61.4 1.73 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.141 179.833 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.676 ' H ' HD12 ' A' ' 112' ' ' ILE . 4.8 mp -48.45 -51.1 11.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.131 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 17.6 mt -52.48 -50.31 62.98 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -54.95 -31.96 55.79 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.501 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 1.029 HD23 ' N ' ' A' ' 116' ' ' PHE . 0.1 OUTLIER -71.8 -60.27 2.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.849 0.357 . . . . 0.0 110.933 -179.927 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 1.029 ' N ' HD23 ' A' ' 115' ' ' LEU . 10.8 m-85 -64.7 -19.77 65.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.922 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -72.11 -34.62 68.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.878 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 23.2 m -93.04 -46.66 7.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.859 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 11.3 tp -46.4 -58.01 4.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.938 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 120' ' ' SER . . . . . 0.566 ' HA ' ' CZ2' ' A' ' 26' ' ' TRP . 28.2 t -45.59 -43.87 12.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.877 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 78.5 mtp180 -54.45 -50.73 67.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.822 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 122' ' ' TYR . . . . . 0.667 ' HB2' HD11 ' A' ' 94' ' ' ILE . 0.5 OUTLIER -46.35 -25.58 0.67 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.912 -179.803 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 15.0 tptp -97.47 -38.92 9.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.942 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.968 179.947 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.404 ' O ' ' C ' ' A' ' 16' ' ' LEU . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.404 ' C ' ' O ' ' A' ' 15' ' ' GLY . 69.3 mt -38.1 -61.22 0.68 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.753 0.311 . . . . 0.0 110.921 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -51.42 -37.48 48.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.916 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.403 ' N ' ' O ' ' A' ' 15' ' ' GLY . 1.6 m-20 -70.74 -34.94 72.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.852 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.444 ' HA ' HD12 ' A' ' 22' ' ' ILE . 31.4 mt-30 -61.43 -43.13 99.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.954 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 22.1 tttt -44.63 -23.16 0.11 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.924 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 4.3 tpt180 -86.4 -45.71 10.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.867 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.444 HD12 ' HA ' ' A' ' 19' ' ' GLN . 50.7 mt -56.23 -46.7 81.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.114 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.447 ' CD1' ' HB3' ' A' ' 116' ' ' PHE . 24.1 m-85 -65.57 -31.59 72.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.972 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 54.9 m -62.53 -47.47 83.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.128 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 43.2 t0 -65.15 -36.51 84.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 64.6 t90 -56.57 -59.0 5.65 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.925 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.669 ' HB1' HD13 ' A' ' 56' ' ' ILE . . . -61.29 -47.71 84.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.135 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 9.3 m-20 -38.1 -35.71 0.17 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -62.42 -57.45 11.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.842 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.529 ' CE1' ' HA ' ' A' ' 60' ' ' VAL . 87.2 m-85 -54.21 -32.93 57.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.943 -179.828 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.517 HD11 HD21 ' A' ' 52' ' ' LEU . 12.6 mt -71.67 -53.99 11.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.945 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -57.25 -54.62 44.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.115 179.793 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.33 -34.89 35.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.912 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.4 t -75.36 -21.78 58.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.862 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.43 ' O ' ' C ' ' A' ' 36' ' ' HIS . . . 118.78 -30.06 6.06 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.449 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.463 ' CG ' HD22 ' A' ' 31' ' ' LEU . 12.8 m80 -35.23 128.94 0.52 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.816 0.341 . . . . 0.0 110.887 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 4.2 mmmm -86.76 -28.76 22.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.883 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.437 ' HG2' ' N ' ' A' ' 39' ' ' LEU . 27.3 ttm180 -85.59 155.62 21.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.867 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.437 ' N ' ' HG2' ' A' ' 38' ' ' ARG . 34.7 mt -125.55 -175.39 3.31 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.937 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.711 HG23 ' CG ' ' A' ' 46' ' ' ASP . 73.2 mt -97.13 113.09 30.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.121 179.824 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 11.7 mmm-85 -88.49 -61.11 1.78 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.904 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.486 ' O ' ' N ' ' A' ' 46' ' ' ASP . 1.8 m-20 -113.78 100.07 8.17 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.69 HD11 ' CE2' ' A' ' 116' ' ' PHE . 11.8 tp -49.91 -38.26 35.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.907 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.42 ' HG2' HD13 ' A' ' 112' ' ' ILE . 57.4 mt-30 -72.81 -22.43 60.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.921 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -113.5 9.49 18.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.912 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.711 ' CG ' HG23 ' A' ' 40' ' ' ILE . 1.4 m-20 -102.51 -33.74 9.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.847 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.486 HG22 ' O ' ' A' ' 43' ' ' LEU . 27.2 m -101.15 29.06 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.112 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 33.9 p -87.35 -35.6 18.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.175 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -90.15 -18.29 26.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.856 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 79.33 -14.4 16.41 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.494 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 63.5 t -68.11 -70.12 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.823 0.344 . . . . 0.0 111.162 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.582 HD23 ' O ' ' A' ' 52' ' ' LEU . 1.6 tt -51.04 -30.69 16.26 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.948 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.61 HD11 HD11 ' A' ' 57' ' ' ILE . 2.8 tp -61.26 -50.36 73.34 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.423 ' O ' ' N ' ' A' ' 56' ' ' ILE . . . -61.78 -46.52 89.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.074 179.827 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.401 ' C ' ' O ' ' A' ' 54' ' ' ALA . 55.3 mt-30 -38.06 -31.09 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.942 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.706 HD11 HD11 ' A' ' 40' ' ' ILE . 12.9 mt -88.97 -56.04 5.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.124 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.61 HD11 HD11 ' A' ' 53' ' ' LEU . 60.5 mt -43.53 -63.43 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.133 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.503 ' O ' ' N ' ' A' ' 62' ' ' ASN . 32.1 mt-30 -39.43 -41.89 1.02 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 59.4 t -69.68 -67.4 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.09 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.529 ' HA ' ' CE1' ' A' ' 30' ' ' TYR . 3.5 p -49.68 -22.63 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.146 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -101.83 -22.56 14.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.063 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.503 ' N ' ' O ' ' A' ' 58' ' ' GLN . 4.4 m120 69.03 39.71 1.73 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.894 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -149.66 160.24 43.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.898 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 15.8 tttt -109.1 138.04 46.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.907 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.544 HG22 ' H ' ' A' ' 67' ' ' ASP . 13.9 mt -93.97 115.01 31.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.139 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -84.53 0.42 49.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.918 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.544 ' H ' HG22 ' A' ' 65' ' ' ILE . 0.4 OUTLIER -107.87 37.8 2.35 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.921 179.946 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 36.7 mm -114.12 122.96 69.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.167 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -54.23 -59.27 4.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 104.18 -54.68 0.64 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.465 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 52.0 t -124.12 77.2 59.78 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.614 0.721 . . . . 0.0 110.905 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.411 ' HB2' ' CG ' ' A' ' 78' ' ' MET . 54.0 Cg_endo -69.72 98.62 0.69 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.647 2.231 . . . . 0.0 112.398 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 58.1 mmtt -91.49 -52.08 4.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.895 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.442 ' HB2' ' CG ' ' A' ' 77' ' ' GLN . 2.5 m120 -63.79 168.06 5.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.918 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 7.8 tmm_? -75.05 -36.0 61.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.923 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 59.0 p -84.65 -31.48 24.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.881 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.442 ' CG ' ' HB2' ' A' ' 74' ' ' ASN . 13.2 mm-40 -47.96 -40.16 21.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.952 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' MET . . . . . 0.411 ' CG ' ' HB2' ' A' ' 72' ' ' PRO . 20.6 mtt -59.08 -43.07 91.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.892 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 32.0 mm -47.9 -53.16 5.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.163 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 64.0 mt-10 -47.62 -51.98 19.51 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -41.8 -72.61 0.06 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.855 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 20.8 mt -49.57 -40.53 15.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.104 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.418 ' HA ' HD12 ' A' ' 86' ' ' LEU . 8.7 t0 -56.72 -45.24 82.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 179.839 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.429 ' HB1' ' OD2' ' A' ' 67' ' ' ASP . . . -51.96 -50.93 60.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.068 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 41.4 m -56.95 -42.95 81.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.871 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.418 HD12 ' HA ' ' A' ' 83' ' ' ASP . 63.9 mt -59.68 -43.68 93.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 -179.844 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 67.5 m-80 -70.81 -39.64 72.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.885 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 10.8 t80 -66.2 -42.81 88.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.868 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.646 HD22 HD12 ' A' ' 94' ' ' ILE . 27.2 mt -68.13 -40.74 82.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.947 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -54.45 -41.52 69.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.081 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -61.27 -21.6 64.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.107 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 35.0 mmtt -87.77 -13.31 42.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.859 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 108.49 29.35 4.22 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.46 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.799 HD11 ' HB2' ' A' ' 122' ' ' TYR . 71.3 mt . . . . . 0 C--N 1.328 -0.342 0 CA-C-O 120.829 0.347 . . . . 0.0 111.108 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 N-CA-C 112.499 -0.241 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 52.4 mt -64.46 146.59 54.29 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.829 0.347 . . . . 0.0 110.96 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 4.0 m -128.94 110.74 12.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.863 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -44.11 -50.78 8.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.088 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -52.42 -58.2 7.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.846 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 22.3 mm-40 -52.93 -46.95 68.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.705 HG12 ' HB1' ' A' ' 111' ' ' ALA . 32.3 mt -58.89 -41.64 83.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.143 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 14.7 ttt-85 -66.87 -24.69 66.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 34.1 m-20 -83.42 -21.91 32.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.869 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 104.84 8.2 37.32 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.473 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' ASN . . . . . 0.703 ' O ' HD12 ' A' ' 112' ' ' ILE . 2.9 t-20 -54.23 99.35 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.88 0.372 . . . . 0.0 110.893 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 12.3 tp -38.47 -58.64 1.0 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.918 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 2.3 mptt -39.35 -44.17 1.28 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.849 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' ALA . . . . . 0.705 ' HB1' HG12 ' A' ' 104' ' ' ILE . . . -66.84 -58.55 4.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.088 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.727 ' H ' HD12 ' A' ' 112' ' ' ILE . 5.3 mp -52.47 -63.33 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.144 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 19.0 mt -47.08 -48.06 22.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -57.39 -34.62 68.78 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.484 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 1.031 HD23 ' N ' ' A' ' 116' ' ' PHE . 0.2 OUTLIER -69.24 -62.53 1.34 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.848 0.356 . . . . 0.0 110.909 -179.956 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 1.031 ' N ' HD23 ' A' ' 115' ' ' LEU . 10.6 m-85 -59.52 -11.17 4.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.86 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 117' ' ' PHE . . . . . 0.492 ' CD1' ' C ' ' A' ' 117' ' ' PHE . 3.3 t80 -85.38 -34.32 21.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.878 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 1.5 p -92.94 -29.43 15.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.885 -179.8 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 11.9 tp -65.46 -54.11 33.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.907 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 29.9 p -50.1 -27.62 5.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 44.8 mtp180 -64.29 -50.4 68.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.865 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 122' ' ' TYR . . . . . 0.799 ' HB2' HD11 ' A' ' 94' ' ' ILE . 9.8 t80 -40.22 -55.63 2.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.931 -179.851 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 123' ' ' LYS . . . . . 0.433 ' O ' ' C ' ' A' ' 124' ' ' GLN . 14.5 tptp -70.4 -54.06 13.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.869 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 124' ' ' GLN . . . . . 0.433 ' C ' ' O ' ' A' ' 123' ' ' LYS . 33.0 mt-30 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.874 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.496 ' O ' ' N ' ' A' ' 18' ' ' ASP . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.607 ' O ' HD11 ' A' ' 113' ' ' LEU . 88.8 mt -39.1 -33.35 0.12 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.764 0.316 . . . . 0.0 110.947 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -81.62 -37.56 27.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.925 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.496 ' N ' ' O ' ' A' ' 15' ' ' GLY . 6.7 m-20 -67.78 -44.91 76.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.866 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.438 ' HB2' HD22 ' A' ' 113' ' ' LEU . 15.5 mt-30 -56.85 -38.27 72.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 28.2 tttt -52.02 -27.48 13.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.846 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 8.0 tpp85 -89.04 -46.51 8.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.908 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 92.7 mt -49.33 -50.24 16.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.183 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.537 ' CG ' ' HB3' ' A' ' 116' ' ' PHE . 23.8 m-85 -63.57 -39.12 93.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.886 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.549 HG23 ' HB ' ' A' ' 40' ' ' ILE . 90.1 m -54.28 -44.82 72.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.112 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -69.15 -40.35 78.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 59.1 t90 -53.42 -51.04 63.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.93 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.523 ' HB1' HD13 ' A' ' 56' ' ' ILE . . . -68.19 -41.74 80.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.108 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.602 ' OD1' HD22 ' A' ' 39' ' ' LEU . 1.4 m-80 -45.73 -31.93 2.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 24.1 t60 -69.89 -40.12 75.84 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.857 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 60.8 m-85 -73.79 -25.84 60.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.917 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 19.8 mt -84.56 -42.41 15.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.956 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -70.26 -34.49 72.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.105 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.6 ptmm? -68.62 -36.77 79.08 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.869 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.6 t -83.23 20.11 1.35 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.834 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 53.54 61.46 7.01 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.463 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 12.4 t-80 -107.79 125.18 51.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.914 0.387 . . . . 0.0 110.832 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.93 47.82 1.15 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 18.7 ttt180 -167.3 148.84 5.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.87 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.602 HD22 ' OD1' ' A' ' 28' ' ' ASN . 29.3 mt -127.72 -177.51 4.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.938 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.689 HD11 HD11 ' A' ' 56' ' ' ILE . 65.5 mt -106.14 114.92 46.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.099 179.826 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 67.3 mtt180 -95.77 -58.72 2.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.494 ' O ' ' N ' ' A' ' 46' ' ' ASP . 0.4 OUTLIER -113.42 101.38 9.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.891 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.698 HD11 ' CE2' ' A' ' 116' ' ' PHE . 12.7 tp -50.93 -38.65 51.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.911 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.52 ' NE2' HD13 ' A' ' 109' ' ' LEU . 30.0 mt-30 -68.8 -38.94 80.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.9 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.408 ' HB2' ' CG ' ' A' ' 42' ' ' ASP . 10.9 mt-30 -99.11 10.9 40.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.946 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.614 ' CG ' HG23 ' A' ' 40' ' ' ILE . 2.8 m-20 -101.33 -28.31 12.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.426 HG12 ' HB2' ' A' ' 53' ' ' LEU . 23.4 m -110.67 34.55 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.146 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.414 HG22 ' O ' ' A' ' 105' ' ' ARG . 22.9 p -89.39 -34.83 16.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.104 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -96.49 -16.76 20.96 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.835 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 79.83 -14.52 18.94 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.48 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 97.1 t -61.03 -70.54 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.877 0.37 . . . . 0.0 111.139 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.539 HD23 ' O ' ' A' ' 52' ' ' LEU . 1.6 tt -54.17 -34.57 60.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.97 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.74 HD11 HD11 ' A' ' 57' ' ' ILE . 2.3 tp -58.68 -48.45 81.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.938 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.38 -39.57 94.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.075 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.455 ' O ' HG23 ' A' ' 59' ' ' VAL . 63.6 mt-30 -46.6 -23.95 0.47 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.924 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.689 HD11 HD11 ' A' ' 40' ' ' ILE . 10.6 mt -95.12 -53.39 8.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.104 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.74 HD11 HD11 ' A' ' 53' ' ' LEU . 67.2 mt -48.58 -51.77 10.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.151 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -56.54 -22.45 33.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.455 HG23 ' O ' ' A' ' 55' ' ' GLN . 85.6 t -88.08 -59.74 2.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.103 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 6.3 p -59.31 -27.08 35.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.135 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -99.24 -14.17 19.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.142 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 8.5 m120 58.63 48.15 12.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.936 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -147.06 160.56 42.25 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 19.7 ttpt -110.38 130.09 55.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.917 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.45 HG12 ' CD2' ' A' ' 88' ' ' PHE . 31.8 mt -94.64 103.16 14.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.138 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -72.94 -13.27 61.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.452 ' O ' ' CB ' ' A' ' 84' ' ' ALA . 28.9 m-20 -92.11 36.16 0.98 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.844 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.444 HG12 ' CG2' ' A' ' 65' ' ' ILE . 35.4 mm -114.06 132.5 62.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.085 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -64.14 -52.47 58.92 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.918 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 93.63 -49.43 2.32 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.478 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 36.2 m -134.08 82.91 47.03 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.602 0.715 . . . . 0.0 110.874 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 138.63 38.34 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.703 2.269 . . . . 0.0 112.38 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 68.9 mttt -115.57 -47.14 2.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.925 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.416 ' O ' ' C ' ' A' ' 75' ' ' ARG . 28.7 t-20 -101.07 139.98 36.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.873 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.416 ' C ' ' O ' ' A' ' 74' ' ' ASN . 5.4 mmt-85 -35.73 -46.65 0.45 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.847 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.448 ' O ' ' N ' ' A' ' 79' ' ' ILE . 9.7 p -60.61 -48.31 82.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.859 -179.779 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.412 ' N ' ' O ' ' A' ' 74' ' ' ASN . 15.2 mm100 -43.51 -22.84 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.932 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' MET . . . . . 0.413 ' N ' ' O ' ' A' ' 76' ' ' SER . 8.7 mtt -79.83 -38.14 33.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.857 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.472 ' CD1' ' HD3' ' A' ' 105' ' ' ARG . 3.5 mm -49.67 -50.28 18.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.107 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -54.35 -53.4 54.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.864 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -40.56 -68.71 0.16 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 24.6 mt -53.64 -40.07 40.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.163 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -54.65 -51.99 63.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.828 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.452 ' CB ' ' O ' ' A' ' 67' ' ' ASP . . . -54.19 -44.68 71.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.095 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 71.9 m -59.18 -39.4 82.4 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.878 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 87.9 mt -64.62 -55.47 20.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 70.0 m-80 -59.77 -31.12 69.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.597 ' CD1' ' C ' ' A' ' 88' ' ' PHE . 0.5 OUTLIER -71.84 -40.68 68.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.896 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.4 HD22 ' CD1' ' A' ' 94' ' ' ILE . 57.8 mt -68.41 -40.07 81.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.92 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -54.7 -37.68 66.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.069 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -65.29 -20.05 66.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.071 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.504 ' HB3' ' CE1' ' A' ' 122' ' ' TYR . 41.5 mmtt -90.18 -17.41 27.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.881 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 111.54 37.21 1.63 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.489 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.686 HD11 ' HB2' ' A' ' 122' ' ' TYR . 71.0 mt . . . . . 0 C--N 1.329 -0.286 0 CA-C-O 120.838 0.351 . . . . 0.0 111.109 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.527 -0.229 . . . . 0.0 112.527 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 51.6 mt -68.4 137.44 54.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.791 0.329 . . . . 0.0 110.931 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.447 ' CB ' ' HG3' ' A' ' 103' ' ' GLU . 1.1 m -121.64 123.0 40.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.874 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -51.95 -46.53 64.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.099 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -56.71 -42.37 79.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.901 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.447 ' HG3' ' CB ' ' A' ' 100' ' ' SER . 18.0 mt-10 -71.01 -43.53 67.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.881 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 73.1 mt -63.74 -37.84 80.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.121 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.472 ' HD3' ' CD1' ' A' ' 79' ' ' ILE . 14.5 ttt-85 -67.49 -38.12 83.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.931 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 22.5 m-80 -66.57 -27.98 68.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.904 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 100.1 30.02 6.54 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.487 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' ASN . . . . . 0.712 ' O ' HD12 ' A' ' 112' ' ' ILE . 27.8 t30 -74.17 102.91 4.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.868 0.366 . . . . 0.0 110.917 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.52 HD13 ' NE2' ' A' ' 44' ' ' GLN . 8.5 tp -35.9 -52.44 0.73 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.931 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 13.3 mmtp -51.21 -41.95 60.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.885 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' ALA . . . . . 0.479 ' N ' ' O ' ' A' ' 108' ' ' ASN . . . -68.92 -56.02 9.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.116 179.813 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.712 HD12 ' O ' ' A' ' 108' ' ' ASN . 5.3 mp -53.61 -65.9 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.137 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.607 HD11 ' O ' ' A' ' 16' ' ' LEU . 58.4 mt -39.16 -41.47 0.84 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.917 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -59.71 -40.16 96.19 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.463 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 1.034 HD23 ' N ' ' A' ' 116' ' ' PHE . 0.2 OUTLIER -64.57 -60.98 2.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.861 0.363 . . . . 0.0 110.904 -179.883 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 1.034 ' N ' HD23 ' A' ' 115' ' ' LEU . 12.0 m-85 -63.41 -12.49 31.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.867 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 117' ' ' PHE . . . . . 0.486 ' CD1' ' C ' ' A' ' 117' ' ' PHE . 3.5 t80 -79.68 -36.93 36.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.842 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 118' ' ' SER . . . . . 0.444 ' OG ' ' CG2' ' A' ' 94' ' ' ILE . 7.9 p -93.0 -37.67 12.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.824 -179.771 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 9.4 tp -54.94 -47.95 73.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.927 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 89.2 p -56.62 -37.35 70.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.833 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 47.1 mtp85 -59.09 -46.61 87.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.862 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 122' ' ' TYR . . . . . 0.686 ' HB2' HD11 ' A' ' 94' ' ' ILE . 9.6 t80 -42.74 -56.04 3.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 -179.871 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 123' ' ' LYS . . . . . 0.436 ' O ' ' C ' ' A' ' 124' ' ' GLN . 11.3 tptp -74.17 -53.58 9.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.889 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 124' ' ' GLN . . . . . 0.436 ' C ' ' O ' ' A' ' 123' ' ' LYS . 73.3 mt-30 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.927 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.473 ' N ' ' HB2' ' A' ' 18' ' ' ASP . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.431 ' C ' ' O ' ' A' ' 15' ' ' GLY . 15.3 mt -35.34 -56.66 0.62 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.761 0.315 . . . . 0.0 110.949 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.42 ' HA ' HD21 ' A' ' 109' ' ' LEU . 4.6 mp0 -62.16 -41.24 98.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.849 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.473 ' HB2' ' N ' ' A' ' 15' ' ' GLY . 1.1 m-20 -61.73 -31.33 71.49 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.833 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.857 ' HA ' HD12 ' A' ' 22' ' ' ILE . 26.8 mt-30 -64.29 -42.24 96.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.848 -179.856 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.628 ' HB2' HD11 ' A' ' 109' ' ' LEU . 47.3 tttt -46.35 -42.19 14.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.913 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 18.2 ttm-85 -64.73 -54.35 32.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.892 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.857 HD12 ' HA ' ' A' ' 19' ' ' GLN . 39.1 mt -40.97 -52.4 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.135 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.568 ' HB2' HD22 ' A' ' 43' ' ' LEU . 30.0 m-85 -68.59 -49.0 62.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.92 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 51.9 m -41.45 -49.16 3.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.181 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -73.32 -37.46 66.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.887 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 86.4 t90 -56.97 -42.07 79.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.94 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.851 ' HB1' HG12 ' A' ' 56' ' ' ILE . . . -71.06 -40.54 71.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.119 179.851 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.859 ' OD1' HD22 ' A' ' 39' ' ' LEU . 2.0 m-80 -49.85 -47.1 51.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.914 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -46.2 -38.0 7.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.822 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.469 ' HA ' ' CD ' ' A' ' 33' ' ' LYS . 96.0 m-85 -79.54 -22.7 43.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.895 -179.847 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.695 HD22 ' ND1' ' A' ' 36' ' ' HIS . 14.2 mt -79.4 -57.24 3.8 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.887 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -57.84 -48.7 79.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.087 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.469 ' CD ' ' HA ' ' A' ' 30' ' ' TYR . 16.4 ptmt -50.35 -37.14 35.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 19.5 m -91.76 33.06 1.05 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.852 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 46.58 59.98 5.05 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.475 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.695 ' ND1' HD22 ' A' ' 31' ' ' LEU . 52.1 t-80 -121.19 87.19 2.71 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.882 0.373 . . . . 0.0 110.875 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 36' ' ' HIS . 1.2 mmmm -38.25 -74.78 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.927 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 21.5 ttm180 -38.35 150.21 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.889 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.859 HD22 ' OD1' ' A' ' 28' ' ' ASN . 52.7 mt -131.54 -178.93 5.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.927 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.459 HD11 HD11 ' A' ' 56' ' ' ILE . 80.3 mt -99.12 117.16 43.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.155 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 55.9 mtm180 -88.43 -63.03 1.36 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.86 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.47 ' O ' ' N ' ' A' ' 45' ' ' GLN . 72.4 m-20 -114.93 98.28 6.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.855 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 1.054 HD11 ' CE2' ' A' ' 116' ' ' PHE . 16.9 tp -40.99 -25.03 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.441 ' N ' ' O ' ' A' ' 42' ' ' ASP . 26.1 mt-30 -77.14 -40.64 44.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.921 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.678 ' HA ' HG23 ' A' ' 48' ' ' THR . 54.4 mm-40 -83.57 -47.58 11.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.922 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.944 ' OD1' HG13 ' A' ' 47' ' ' VAL . 0.5 OUTLIER -48.66 -19.02 0.31 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.836 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.944 HG13 ' OD1' ' A' ' 46' ' ' ASP . 18.5 m -115.35 39.67 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.097 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.678 HG23 ' HA ' ' A' ' 45' ' ' GLN . 14.3 p -97.5 -30.24 13.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.122 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.463 ' O ' ' CB ' ' A' ' 81' ' ' ASN . 0.9 OUTLIER -104.07 -16.22 15.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.883 179.898 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 82.88 -17.17 23.18 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.536 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 93.3 t -64.74 -59.21 4.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.805 0.336 . . . . 0.0 111.131 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.619 HD13 ' HB2' ' A' ' 46' ' ' ASP . 1.2 tt -62.61 -34.03 76.2 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.957 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.699 HD11 HD11 ' A' ' 57' ' ' ILE . 1.4 tp -58.81 -47.25 85.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.959 179.826 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.487 ' O ' ' N ' ' A' ' 56' ' ' ILE . . . -64.59 -43.05 95.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.131 179.761 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.508 ' O ' HG23 ' A' ' 59' ' ' VAL . 29.9 mt-30 -36.69 -29.57 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.915 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.851 HG12 ' HB1' ' A' ' 27' ' ' ALA . 4.8 mp -92.3 -50.89 12.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.144 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.699 HD11 HD11 ' A' ' 53' ' ' LEU . 72.7 mt -50.47 -55.31 6.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.139 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 -52.33 -31.81 35.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.984 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.508 HG23 ' O ' ' A' ' 55' ' ' GLN . 76.7 t -76.42 -68.45 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.126 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.427 ' CG2' ' HD3' ' A' ' 123' ' ' LYS . 11.9 p -51.68 -31.63 13.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.082 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -89.77 -15.14 33.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.134 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 72.9 m-20 59.46 33.6 22.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.837 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -137.58 162.67 33.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.89 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 18.5 ttpp -111.27 137.06 49.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.89 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.462 ' HB ' ' CG1' ' A' ' 68' ' ' ILE . 18.2 mt -97.25 117.39 41.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.15 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -81.83 -18.19 44.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.509 ' O ' ' HB2' ' A' ' 84' ' ' ALA . 11.8 m-20 -86.82 36.74 0.73 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.855 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.462 ' CG1' ' HB ' ' A' ' 65' ' ' ILE . 36.3 mm -113.35 103.35 15.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.119 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -40.47 -47.34 2.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.855 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 99.54 -57.82 0.84 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.524 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 6.9 t -130.64 82.4 64.92 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.595 0.712 . . . . 0.0 110.907 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 119.25 6.23 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.674 2.249 . . . . 0.0 112.356 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 37.9 mttp -105.35 -50.76 3.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.883 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.464 ' HB2' ' CG ' ' A' ' 77' ' ' GLN . 10.4 m-20 -71.74 165.6 23.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.871 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -65.63 -48.22 72.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.907 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 3.9 m -71.61 -34.13 69.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.896 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.464 ' CG ' ' HB2' ' A' ' 74' ' ' ASN . 6.6 mm100 -42.91 -49.53 5.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.952 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 13.0 mtt -53.06 -47.73 68.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.861 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 49.4 mm -38.35 -62.06 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.153 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.422 ' O ' ' C ' ' A' ' 81' ' ' ASN . 11.4 mt-10 -38.48 -57.79 1.1 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.463 ' CB ' ' O ' ' A' ' 49' ' ' ASP . 2.4 m120 -36.56 -70.18 0.1 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.864 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 27.8 mt -52.4 -40.7 33.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.144 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -53.58 -48.11 69.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.849 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.509 ' HB2' ' O ' ' A' ' 67' ' ' ASP . . . -52.3 -51.12 60.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.082 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 38.6 m -54.49 -45.75 73.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.927 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 60.1 mt -57.43 -53.66 55.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 70.1 m-80 -63.26 -36.25 83.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.893 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.472 ' CZ ' ' HE3' ' A' ' 92' ' ' LYS . 16.7 t80 -62.38 -45.55 92.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.655 HD21 HD13 ' A' ' 119' ' ' LEU . 75.6 mt -61.63 -51.61 67.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.931 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -46.81 -51.95 15.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.097 179.779 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -54.83 -31.68 59.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.128 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.472 ' HE3' ' CZ ' ' A' ' 88' ' ' PHE . 70.0 mmtt -76.09 -17.48 59.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.904 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 109.7 38.21 1.77 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.486 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.764 HD11 ' HB2' ' A' ' 122' ' ' TYR . 70.3 mt . . . . . 0 C--N 1.329 -0.319 0 CA-C-O 120.784 0.326 . . . . 0.0 111.144 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.514 -0.235 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 71.5 mt -65.42 176.31 1.46 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.816 0.341 . . . . 0.0 110.914 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 18.1 m -152.41 107.87 3.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.856 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -47.6 -43.79 25.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.089 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -57.98 -54.42 47.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.927 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 38.1 mm-40 -51.91 -46.32 64.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.888 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.424 HG22 ' O ' ' A' ' 47' ' ' VAL . 23.6 mt -57.84 -43.77 84.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.135 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 16.0 ttt-85 -63.59 -23.36 67.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.846 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 -85.19 -18.68 33.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 91.78 33.24 7.99 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.535 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' ASN . . . . . 0.673 ' O ' HD12 ' A' ' 112' ' ' ILE . 25.4 t-20 -77.45 97.91 5.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.83 0.348 . . . . 0.0 110.874 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.628 HD11 ' HB2' ' A' ' 20' ' ' LYS . 9.8 tp -37.09 -63.26 0.44 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.926 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 2.8 mmmp? -40.15 -38.83 0.81 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 179.804 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' ALA . . . . . 0.404 ' N ' ' O ' ' A' ' 108' ' ' ASN . . . -71.26 -63.75 1.05 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.115 179.845 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.689 ' H ' HD12 ' A' ' 112' ' ' ILE . 5.2 mp -47.83 -63.21 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.14 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.43 ' C ' ' O ' ' A' ' 112' ' ' ILE . 67.2 mt -35.3 -49.54 0.51 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.938 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -54.29 -52.47 44.04 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.487 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.926 HD23 ' N ' ' A' ' 116' ' ' PHE . 0.1 OUTLIER -52.23 -55.49 20.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.849 0.357 . . . . 0.0 110.917 -179.936 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 1.054 ' CE2' HD11 ' A' ' 43' ' ' LEU . 10.6 m-85 -66.73 -19.21 65.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 12.4 t80 -73.84 -34.22 64.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.868 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 33.5 p -92.77 -40.54 10.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.867 -179.787 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.655 HD13 HD21 ' A' ' 89' ' ' LEU . 15.9 tp -57.44 -48.27 79.59 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.897 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 6.4 t -52.79 -37.0 59.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.841 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 51.6 mtp180 -61.94 -50.39 72.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.841 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 122' ' ' TYR . . . . . 0.764 ' HB2' HD11 ' A' ' 94' ' ' ILE . 0.1 OUTLIER -43.98 -33.59 1.45 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 -179.853 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 123' ' ' LYS . . . . . 0.427 ' HD3' ' CG2' ' A' ' 60' ' ' VAL . 15.9 tptp -73.93 -48.29 31.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.927 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.926 179.966 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.456 ' O ' ' N ' ' A' ' 18' ' ' ASP . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.43 ' C ' ' O ' ' A' ' 15' ' ' GLY . 71.4 mt -35.71 -50.74 0.64 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.784 0.326 . . . . 0.0 110.893 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -62.84 -42.85 99.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.456 ' N ' ' O ' ' A' ' 15' ' ' GLY . 6.8 m-20 -60.81 -38.64 86.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.87 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 44.3 mt-30 -57.49 -45.52 84.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.917 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.407 ' HB2' HD11 ' A' ' 109' ' ' LEU . 63.7 tttt -42.44 -48.41 5.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.906 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.09 -54.17 45.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.893 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 86.7 mt -41.58 -52.69 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.119 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.561 ' HB2' HD22 ' A' ' 43' ' ' LEU . 27.3 m-85 -68.57 -49.51 58.88 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.869 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 55.4 m -42.98 -45.36 5.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.168 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -73.78 -38.09 64.76 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.829 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 89.1 t90 -56.82 -44.73 82.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.918 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.501 ' HB1' HG12 ' A' ' 56' ' ' ILE . . . -74.56 -45.5 44.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.086 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 34.7 m-20 -46.24 -40.79 12.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.859 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -53.05 -41.34 64.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.854 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.546 ' HB2' HG23 ' A' ' 56' ' ' ILE . 95.7 m-85 -74.24 -21.58 59.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.893 -179.817 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.558 HD11 HD21 ' A' ' 52' ' ' LEU . 18.7 mt -83.84 -36.84 23.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.948 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -77.82 -25.37 48.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.082 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 13.7 ptmt -75.09 -34.56 61.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.912 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.7 t -91.87 27.24 2.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 51.59 66.4 2.57 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.522 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.41 ' CB ' ' O ' ' A' ' 31' ' ' LEU . 6.7 t-80 -120.66 95.32 4.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.905 0.383 . . . . 0.0 110.848 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 31.4 mtpt -43.19 -61.29 1.37 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.451 ' HG2' ' N ' ' A' ' 39' ' ' LEU . 6.0 ttt180 -58.16 144.05 41.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.879 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.451 ' N ' ' HG2' ' A' ' 38' ' ' ARG . 37.3 mt -123.56 -175.74 3.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.907 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 91.7 mt -100.93 120.58 50.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.098 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 4.9 mpt_? -94.46 -64.77 1.04 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.855 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.455 ' O ' ' N ' ' A' ' 45' ' ' GLN . 0.9 OUTLIER -112.53 98.33 7.18 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.848 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.779 HD11 ' CE2' ' A' ' 116' ' ' PHE . 13.0 tp -42.23 -23.48 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.92 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.485 ' CD ' HD13 ' A' ' 109' ' ' LEU . 31.8 mt-30 -77.45 -40.12 44.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.902 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.792 ' HA ' HG23 ' A' ' 48' ' ' THR . 27.5 mt-30 -86.17 -48.24 8.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.936 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.786 ' OD1' HG13 ' A' ' 47' ' ' VAL . 0.5 OUTLIER -42.32 -23.64 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 179.924 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.786 HG13 ' OD1' ' A' ' 46' ' ' ASP . 26.2 m -114.76 42.74 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.146 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.792 HG23 ' HA ' ' A' ' 45' ' ' GLN . 3.1 p -91.46 -35.72 14.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.165 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -106.22 -12.23 15.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.873 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 86.9 -25.4 7.6 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.47 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 66.1 t -50.58 -70.35 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.882 0.372 . . . . 0.0 111.143 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.612 ' O ' HD12 ' A' ' 56' ' ' ILE . 1.8 tt -53.06 -35.88 60.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.96 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.697 ' HB2' HG12 ' A' ' 47' ' ' VAL . 1.7 tp -59.75 -47.01 87.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.932 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -67.62 -34.6 77.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.113 179.784 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -46.7 -27.44 1.18 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.951 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.612 HD12 ' O ' ' A' ' 52' ' ' LEU . 5.3 mp -94.57 -58.66 3.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.185 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.662 HD11 HD11 ' A' ' 53' ' ' LEU . 59.3 mt -37.84 -50.92 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.123 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.414 ' O ' ' N ' ' A' ' 62' ' ' ASN . 37.5 mt-30 -54.64 -43.6 72.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.929 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.402 ' N ' ' O ' ' A' ' 56' ' ' ILE . 65.8 t -68.18 -64.13 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.111 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 8.1 p -52.89 -32.64 18.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.147 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -89.55 -19.42 25.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.109 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.414 ' N ' ' O ' ' A' ' 58' ' ' GLN . 6.9 m120 66.64 37.36 4.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.905 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -143.88 166.94 23.53 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 4.4 ttpp -117.17 131.43 56.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.89 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.423 ' HB ' ' CG1' ' A' ' 68' ' ' ILE . 22.4 mt -91.98 117.47 35.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.132 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -82.31 -15.18 53.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.921 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -89.14 35.43 0.8 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.87 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.423 ' CG1' ' HB ' ' A' ' 65' ' ' ILE . 34.9 mm -113.74 111.09 34.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.149 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -48.54 -57.1 6.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.856 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 115.89 -59.92 0.43 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.482 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 92.0 m -134.17 72.14 71.89 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.631 0.729 . . . . 0.0 110.9 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 132.78 24.07 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.71 2.274 . . . . 0.0 112.334 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.45 ' HG2' ' N ' ' A' ' 74' ' ' ASN . 0.0 OUTLIER -123.67 -34.13 3.09 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.932 179.889 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.45 ' N ' ' HG2' ' A' ' 73' ' ' LYS . 2.5 t-20 -68.9 170.78 9.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.931 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 4.2 tpt180 -61.81 -50.75 71.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.458 ' O ' ' N ' ' A' ' 79' ' ' ILE . 5.1 p -81.74 -31.08 32.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.872 -179.807 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 22.7 mm-40 -40.88 -38.43 0.95 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.954 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' MET . . . . . 0.437 ' SD ' ' NH1' ' A' ' 105' ' ' ARG . 20.1 mtt -77.61 -34.84 53.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.884 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.458 ' N ' ' O ' ' A' ' 76' ' ' SER . 21.6 mm -56.55 -54.39 29.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.145 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -42.79 -56.95 2.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.895 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 7.0 m-20 -39.51 -71.26 0.08 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 28.9 mt -47.92 -37.63 6.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.121 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -59.05 -49.53 77.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -51.79 -45.72 63.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.101 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 63.6 m -59.36 -43.17 92.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 81.8 mt -63.29 -45.02 93.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.918 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 70.4 m-80 -69.81 -35.79 75.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.853 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 6.1 t80 -67.67 -40.49 84.45 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.857 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 89.8 mt -69.26 -42.85 75.03 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.909 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -52.62 -46.51 67.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.119 179.766 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -56.17 -18.84 11.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.131 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 36.2 mmtt -88.63 -17.48 30.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 112.64 29.08 3.24 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.477 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.783 HD11 ' HB2' ' A' ' 122' ' ' TYR . 71.6 mt . . . . . 0 C--N 1.329 -0.317 0 CA-C-O 120.856 0.36 . . . . 0.0 111.101 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 N-CA-C 112.481 -0.247 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 43.9 mt -58.34 170.09 0.77 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.799 0.333 . . . . 0.0 110.934 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 12.8 m -149.28 112.32 4.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.844 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -47.74 -52.13 19.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.055 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -50.0 -57.43 7.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.863 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -49.96 -55.91 12.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.857 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.465 HG22 ' O ' ' A' ' 47' ' ' VAL . 27.8 mt -48.18 -44.86 12.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.137 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.437 ' NH1' ' SD ' ' A' ' 78' ' ' MET . 3.6 ttt85 -59.48 -33.32 71.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.87 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 37.6 m-20 -75.25 -16.85 60.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.952 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 87.24 26.96 29.33 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.517 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' ASN . . . . . 0.757 ' O ' HD12 ' A' ' 112' ' ' ILE . 42.2 t30 -71.39 100.39 2.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.893 0.377 . . . . 0.0 110.877 -179.86 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.485 HD13 ' CD ' ' A' ' 44' ' ' GLN . 8.6 tp -37.38 -61.54 0.58 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.931 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 110' ' ' LYS . . . . . 0.418 ' C ' ' O ' ' A' ' 109' ' ' LEU . 11.3 mmtp -36.81 -40.25 0.26 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.915 179.807 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -73.64 -68.33 0.52 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.1 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.774 ' H ' HD12 ' A' ' 112' ' ' ILE . 5.2 mp -41.8 -54.26 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.151 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 92.8 mt -45.73 -51.38 12.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.935 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -54.51 -47.11 71.27 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.519 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 1.03 HD23 ' N ' ' A' ' 116' ' ' PHE . 0.1 OUTLIER -55.78 -60.6 3.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.839 0.352 . . . . 0.0 110.935 -179.948 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 1.03 ' N ' HD23 ' A' ' 115' ' ' LEU . 11.4 m-85 -63.12 -25.12 68.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 117' ' ' PHE . . . . . 0.48 ' CD1' ' C ' ' A' ' 117' ' ' PHE . 3.1 t80 -71.1 -29.4 65.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.904 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 6.8 p -95.0 -40.46 9.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.829 -179.775 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 15.9 tp -59.51 -49.46 77.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.942 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 58.9 p -51.72 -30.5 22.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 25.5 mtt-85 -71.55 -41.9 68.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.847 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 122' ' ' TYR . . . . . 0.783 ' HB2' HD11 ' A' ' 94' ' ' ILE . 2.2 t80 -47.48 -48.39 27.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.938 -179.843 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 12.3 tptp -76.36 -59.09 2.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.943 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.906 179.963 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 16' ' ' LEU . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.407 ' C ' ' O ' ' A' ' 15' ' ' GLY . 65.9 mt -37.54 -55.94 1.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.745 0.307 . . . . 0.0 110.895 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -55.79 -44.01 77.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -65.68 -29.5 70.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.831 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.438 ' HA ' HD12 ' A' ' 22' ' ' ILE . 26.6 mt-30 -67.7 -47.02 70.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.92 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 24.1 tttt -40.6 -48.16 2.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.944 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 5.2 tpt180 -62.92 -56.16 19.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.438 HD12 ' HA ' ' A' ' 19' ' ' GLN . 96.8 mt -38.72 -49.79 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.086 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 -70.76 -37.95 73.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.898 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.5 ' O ' ' ND2' ' A' ' 28' ' ' ASN . 49.3 m -54.03 -50.29 67.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.108 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -68.19 -40.49 82.22 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.883 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 78.6 t90 -52.48 -48.68 65.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.93 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.807 ' HB1' HG12 ' A' ' 56' ' ' ILE . . . -68.3 -44.13 76.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.126 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.927 ' OD1' HD22 ' A' ' 39' ' ' LEU . 1.7 m-80 -43.89 -41.72 5.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.907 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -53.55 -47.58 69.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 85.8 m-85 -67.77 -14.59 63.08 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.902 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.553 HD11 HD21 ' A' ' 52' ' ' LEU . 17.5 mt -89.66 -57.45 2.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.878 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.47 -21.86 60.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.095 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 10.9 ptmt -79.03 -39.56 33.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.932 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.2 m -81.18 1.78 30.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 80.7 65.37 1.72 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.508 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.443 ' CD2' HD22 ' A' ' 31' ' ' LEU . 12.5 m80 -117.13 148.94 41.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.838 0.351 . . . . 0.0 110.887 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.8 pttp -105.71 -17.85 14.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.949 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 14.0 ttm105 -101.54 129.1 47.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.855 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.927 HD22 ' OD1' ' A' ' 28' ' ' ASN . 80.6 mt -109.51 171.28 7.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.935 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.534 HG23 ' CB ' ' A' ' 46' ' ' ASP . 95.8 mt -91.5 110.74 22.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.141 179.837 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 14.5 mtp180 -87.86 -57.45 2.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.861 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -114.74 100.09 7.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.844 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.851 HD11 ' CE2' ' A' ' 116' ' ' PHE . 12.0 tp -50.0 -21.31 1.18 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.897 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.565 ' CD ' HD13 ' A' ' 109' ' ' LEU . 5.8 mt-30 -84.5 -28.95 26.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 71.2 mt-30 -109.83 8.79 24.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.937 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.621 ' OD1' HG13 ' A' ' 47' ' ' VAL . 0.3 OUTLIER -95.21 -35.0 12.01 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.873 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.658 HG12 ' HB2' ' A' ' 53' ' ' LEU . 34.5 m -101.76 29.31 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.115 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 7.6 p -83.62 -32.91 25.45 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.118 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -97.31 -16.36 20.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.851 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 78.04 -10.46 26.78 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.527 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 42.6 t -68.95 -70.6 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.927 0.394 . . . . 0.0 111.169 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.589 HD23 ' O ' ' A' ' 52' ' ' LEU . 1.7 tt -51.71 -31.15 25.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.958 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.658 ' HB2' HG12 ' A' ' 47' ' ' VAL . 2.1 tp -62.34 -50.37 71.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.876 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.03 -46.02 92.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.145 179.788 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.814 ' O ' HG23 ' A' ' 59' ' ' VAL . 45.4 mt-30 -39.4 -39.64 0.7 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.885 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.807 HG12 ' HB1' ' A' ' 27' ' ' ALA . 3.6 mp -78.43 -51.04 18.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.139 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.642 HD11 HD11 ' A' ' 53' ' ' LEU . 41.9 mt -50.61 -53.11 14.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.1 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -55.08 -17.1 3.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.814 HG23 ' O ' ' A' ' 55' ' ' GLN . 30.2 t -93.26 -59.18 3.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.123 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.406 HG12 ' HA ' ' A' ' 57' ' ' ILE . 7.2 p -59.92 -24.75 30.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.155 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -100.18 -16.85 17.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.039 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 71.2 m-80 62.38 48.45 4.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.841 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -151.1 160.32 43.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 22.1 tttt -110.69 138.06 47.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.867 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.44 ' HB ' ' CG1' ' A' ' 68' ' ' ILE . 20.7 mt -100.65 115.12 41.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.138 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -78.51 -23.57 46.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.935 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.459 ' HB3' ' HB1' ' A' ' 84' ' ' ALA . 2.3 t70 -82.47 41.12 0.69 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.836 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.44 ' CG1' ' HB ' ' A' ' 65' ' ' ILE . 33.8 mm -118.03 110.32 30.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.129 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -49.66 -68.29 0.19 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.905 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 132.11 -71.12 0.51 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.484 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 74.8 m -128.19 81.46 70.43 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.548 0.69 . . . . 0.0 110.876 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 141.96 46.59 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.708 2.272 . . . . 0.0 112.318 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.465 ' HD2' ' N ' ' A' ' 73' ' ' LYS . 0.0 OUTLIER -124.43 -37.24 2.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.927 179.873 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.471 ' HB2' ' CG ' ' A' ' 77' ' ' GLN . 9.0 m-20 -77.73 -179.85 6.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 1.5 tmt_? -70.71 -55.6 8.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.493 ' O ' ' N ' ' A' ' 79' ' ' ILE . 10.5 t -71.0 -34.73 71.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.846 -179.767 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.471 ' CG ' ' HB2' ' A' ' 74' ' ' ASN . 6.1 mm-40 -40.31 -37.16 0.62 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.894 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 17.6 mtt -80.32 -32.96 37.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.907 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.493 ' N ' ' O ' ' A' ' 76' ' ' SER . 26.4 mm -52.19 -46.62 44.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.165 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.434 ' O ' ' C ' ' A' ' 81' ' ' ASN . 12.2 mt-10 -51.25 -63.7 1.05 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.882 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.434 ' C ' ' O ' ' A' ' 80' ' ' GLU . 57.2 m-80 -35.62 -72.53 0.05 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.838 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 61.2 mt -48.86 -36.6 8.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.181 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -60.85 -49.31 77.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.916 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.459 ' HB1' ' HB3' ' A' ' 67' ' ' ASP . . . -54.0 -42.91 69.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.085 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 62.4 m -61.98 -38.2 87.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 83.3 mt -66.72 -50.12 63.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.902 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 68.6 m-80 -66.37 -33.43 75.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.906 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.452 ' CD1' ' C ' ' A' ' 88' ' ' PHE . 1.4 t80 -70.84 -40.11 72.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.873 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.586 HD22 HD12 ' A' ' 94' ' ' ILE . 27.3 mt -72.03 -42.02 66.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.935 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -52.85 -38.08 61.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.058 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -66.26 -21.34 66.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.096 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 39.6 mmtt -86.54 -18.54 31.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.882 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 114.51 32.73 1.88 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.471 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.761 HD11 ' CB ' ' A' ' 122' ' ' TYR . 78.4 mt . . . . . 0 C--N 1.329 -0.301 0 CA-C-O 120.854 0.359 . . . . 0.0 111.094 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.464 -0.255 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 66.1 mt -60.04 164.08 4.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.798 0.332 . . . . 0.0 110.933 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 9.8 m -148.25 108.89 4.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.834 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -44.48 -49.6 9.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.129 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -52.74 -51.42 60.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.913 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -57.23 -46.47 82.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.85 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.458 ' CG2' HG23 ' A' ' 47' ' ' VAL . 35.8 mt -58.41 -42.7 84.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.167 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 18.5 ttt-85 -64.56 -30.5 71.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.852 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 16.5 m-20 -75.16 -26.21 58.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.891 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 100.23 18.33 22.09 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.482 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' ASN . . . . . 0.721 ' O ' HD12 ' A' ' 112' ' ' ILE . 4.0 t-20 -67.39 104.56 1.56 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.867 0.365 . . . . 0.0 110.846 -179.844 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.565 HD13 ' CD ' ' A' ' 44' ' ' GLN . 11.6 tp -40.41 -57.63 1.74 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 57.6 mmtt -39.9 -41.03 1.1 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.931 179.801 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -73.96 -63.62 1.18 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.103 179.799 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.726 ' H ' HD12 ' A' ' 112' ' ' ILE . 5.3 mp -47.04 -59.86 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.157 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.456 HD23 ' HA ' ' A' ' 113' ' ' LEU . 13.3 mt -48.16 -46.6 34.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.91 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -56.53 -39.41 84.67 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.462 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 1.015 HD23 ' N ' ' A' ' 116' ' ' PHE . 0.1 OUTLIER -60.28 -60.15 4.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.851 0.358 . . . . 0.0 110.881 -179.877 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 1.015 ' N ' HD23 ' A' ' 115' ' ' LEU . 10.7 m-85 -63.63 -18.34 63.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.878 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 117' ' ' PHE . . . . . 0.5 ' CD1' ' C ' ' A' ' 117' ' ' PHE . 3.1 t80 -71.13 -40.3 71.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 1.6 t -88.38 -44.59 10.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.906 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 14.1 tp -51.84 -44.55 63.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.915 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 86.7 p -59.97 -21.64 61.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 57.3 mtp85 -77.47 -45.55 25.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.836 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 122' ' ' TYR . . . . . 0.761 ' CB ' HD11 ' A' ' 94' ' ' ILE . 0.5 OUTLIER -47.05 -25.51 0.85 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.931 -179.856 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 13.4 tptp -94.83 -58.57 2.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.866 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.922 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.414 ' N ' ' HB2' ' A' ' 18' ' ' ASP . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.522 ' O ' HD11 ' A' ' 113' ' ' LEU . 87.5 mt -51.8 -48.88 63.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.758 0.313 . . . . 0.0 110.922 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -65.4 -30.8 71.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.845 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.414 ' HB2' ' N ' ' A' ' 15' ' ' GLY . 0.9 OUTLIER -71.48 -42.11 68.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.874 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -54.78 -39.57 68.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.926 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.447 ' N ' HD21 ' A' ' 113' ' ' LEU . 58.9 tttt -48.31 -35.33 12.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.875 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 19.5 ttp180 -78.19 -43.52 28.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.869 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 97.7 mt -52.3 -50.16 38.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.127 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 26.0 m-85 -68.18 -46.56 70.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.931 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 28.3 m -41.95 -50.65 4.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.118 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -67.13 -41.05 86.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.886 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 82.8 t90 -54.85 -46.12 74.61 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.905 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.68 ' HB1' HG12 ' A' ' 56' ' ' ILE . . . -72.66 -45.43 58.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.125 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 35.1 m-20 -47.65 -40.15 19.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.903 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -56.49 -39.89 74.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.855 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -73.27 -22.95 60.27 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.919 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.691 HD11 HD21 ' A' ' 52' ' ' LEU . 14.4 mt -80.32 -53.59 6.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.937 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -57.43 -41.65 80.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.114 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 10.7 ptmt -58.99 -41.55 87.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.892 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 12.3 m -87.92 36.2 0.76 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.861 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 45.42 67.25 1.28 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.43 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.584 ' CG ' HD22 ' A' ' 31' ' ' LEU . 49.2 t-80 -125.62 81.9 2.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.822 0.344 . . . . 0.0 110.899 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.44 ' C ' ' O ' ' A' ' 36' ' ' HIS . 29.4 mttm -34.29 -74.92 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.456 ' HG2' ' N ' ' A' ' 39' ' ' LEU . 31.5 ttm180 -42.6 152.33 0.1 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.862 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.456 ' N ' ' HG2' ' A' ' 38' ' ' ARG . 54.2 mt -130.83 -175.76 3.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.906 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.513 HG23 ' HB3' ' A' ' 46' ' ' ASP . 92.9 mt -102.26 119.72 50.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.114 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.441 ' HD3' ' N ' ' A' ' 41' ' ' ARG . 1.7 mpp_? -93.06 -60.75 1.72 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.852 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.438 ' O ' ' N ' ' A' ' 45' ' ' GLN . 2.7 m-20 -115.07 98.27 6.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.818 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.565 HD11 ' CE2' ' A' ' 116' ' ' PHE . 13.0 tp -42.37 -24.06 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.933 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.42 ' N ' ' O ' ' A' ' 42' ' ' ASP . 44.8 mt-30 -76.38 -40.71 50.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.929 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.799 ' HA ' HG23 ' A' ' 48' ' ' THR . 42.7 mt-30 -85.45 -48.25 9.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.889 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.865 ' OD1' HG13 ' A' ' 47' ' ' VAL . 0.5 OUTLIER -43.85 -22.55 0.06 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.838 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.865 HG13 ' OD1' ' A' ' 46' ' ' ASP . 25.4 m -114.94 40.26 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.118 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.799 HG23 ' HA ' ' A' ' 45' ' ' GLN . 2.8 p -89.69 -34.71 16.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.148 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.452 ' O ' ' CB ' ' A' ' 81' ' ' ASN . 1.9 m-20 -105.93 -15.53 14.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.825 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 89.33 -20.88 31.47 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.504 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 99.5 t -54.78 -69.75 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.839 0.352 . . . . 0.0 111.156 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.691 HD21 HD11 ' A' ' 31' ' ' LEU . 1.7 tt -53.58 -32.14 49.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.91 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.689 HD11 HD11 ' A' ' 57' ' ' ILE . 1.9 tp -61.77 -56.49 19.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.901 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.409 ' HB1' HD12 ' A' ' 65' ' ' ILE . . . -58.75 -40.4 83.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.09 179.834 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.542 ' O ' HG23 ' A' ' 59' ' ' VAL . 74.0 mt-30 -39.44 -36.46 0.37 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.957 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.68 HG12 ' HB1' ' A' ' 27' ' ' ALA . 4.5 mp -85.35 -55.35 6.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.118 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.689 HD11 HD11 ' A' ' 53' ' ' LEU . 14.4 mt -42.59 -55.67 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.113 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.422 ' O ' ' N ' ' A' ' 62' ' ' ASN . 32.1 mt-30 -52.72 -37.63 59.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.908 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.542 HG23 ' O ' ' A' ' 55' ' ' GLN . 82.0 t -70.83 -67.55 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.16 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 10.9 p -51.17 -30.5 9.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.094 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -90.63 -25.73 19.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.117 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.422 ' N ' ' O ' ' A' ' 58' ' ' GLN . 3.8 m120 71.74 31.94 2.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.914 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -137.03 154.45 50.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.902 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 10.4 ttpp -104.08 129.91 51.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.866 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.409 HD12 ' HB1' ' A' ' 54' ' ' ALA . 10.0 mt -91.05 120.61 40.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.12 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -86.71 -18.24 31.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.873 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -84.69 32.97 0.51 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.839 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 29.9 mm -114.05 125.22 71.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.115 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 53.0 t30 -66.84 -61.97 1.68 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 110.6 -64.14 0.26 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.51 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 20.7 p -120.01 83.95 31.84 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.543 0.687 . . . . 0.0 110.869 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 137.06 34.46 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.698 2.266 . . . . 0.0 112.332 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.417 ' HD2' ' N ' ' A' ' 73' ' ' LYS . 0.0 OUTLIER -111.08 -45.51 3.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.905 179.909 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -86.83 168.88 13.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.884 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.17 -25.35 61.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.835 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 82.1 p -88.85 -28.16 20.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.888 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 24.3 mm-40 -53.86 -28.19 34.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.858 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 19.8 mtt -73.08 -43.77 61.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.879 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.453 ' CD1' ' HA ' ' A' ' 102' ' ' GLU . 47.9 mm -41.93 -55.08 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.154 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -47.81 -54.59 11.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.866 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.452 ' CB ' ' O ' ' A' ' 49' ' ' ASP . 1.8 m-20 -38.5 -69.92 0.11 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.88 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.596 HG21 HD12 ' A' ' 104' ' ' ILE . 18.2 mt -54.88 -44.4 72.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.113 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -48.32 -53.82 16.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.922 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -50.89 -44.12 59.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.095 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 42.6 m -61.89 -51.46 68.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.86 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 73.8 mt -51.75 -47.53 64.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.897 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 69.4 m-80 -69.46 -42.6 74.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.908 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.531 ' CD1' ' C ' ' A' ' 88' ' ' PHE . 1.2 t80 -57.23 -37.4 72.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.908 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 22.8 mt -70.04 -56.62 6.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.896 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -43.94 -41.48 5.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.142 179.806 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -61.07 -40.06 92.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.117 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 63.9 mmtt -63.19 -25.41 68.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.854 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 119.89 35.89 0.87 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.496 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.668 HD11 ' HB2' ' A' ' 122' ' ' TYR . 31.7 mt . . . . . 0 C--N 1.329 -0.317 0 CA-C-O 120.848 0.356 . . . . 0.0 111.14 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.459 -0.256 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 22.3 mt -68.17 175.39 3.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.828 0.347 . . . . 0.0 110.925 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 15.3 m -151.99 106.64 3.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.883 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -44.43 -48.73 9.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.154 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.453 ' HA ' ' CD1' ' A' ' 79' ' ' ILE . 29.2 tt0 -55.3 -54.64 40.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -50.74 -53.92 27.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.921 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.596 HD12 HG21 ' A' ' 82' ' ' ILE . 10.0 mt -47.53 -50.77 8.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.169 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 21.4 ttt-85 -55.27 -30.09 59.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.894 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 82.1 m-20 -81.41 -13.82 57.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 89.87 24.71 29.25 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.486 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' ASN . . . . . 0.814 ' O ' HD12 ' A' ' 112' ' ' ILE . 13.8 t30 -66.5 99.45 0.57 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.901 0.382 . . . . 0.0 110.885 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.437 ' O ' ' C ' ' A' ' 110' ' ' LYS . 4.2 tp -37.31 -69.9 0.11 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.896 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 110' ' ' LYS . . . . . 0.484 ' HD2' HD13 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -34.54 -42.19 0.14 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.939 179.857 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 111' ' ' ALA . . . . . 0.42 ' HB3' ' O ' ' A' ' 108' ' ' ASN . . . -68.24 -63.33 1.08 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.08 179.828 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.814 HD12 ' O ' ' A' ' 108' ' ' ASN . 5.4 mp -52.95 -56.26 8.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.115 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.522 HD11 ' O ' ' A' ' 16' ' ' LEU . 32.8 mt -48.93 -54.26 16.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.938 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -51.73 -40.82 49.49 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.507 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 1.0 HD23 ' N ' ' A' ' 116' ' ' PHE . 0.1 OUTLIER -60.06 -58.82 6.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.864 0.364 . . . . 0.0 110.929 -179.933 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 1.0 ' N ' HD23 ' A' ' 115' ' ' LEU . 10.7 m-85 -63.12 -17.86 62.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.879 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 117' ' ' PHE . . . . . 0.467 ' CD1' ' C ' ' A' ' 117' ' ' PHE . 4.6 t80 -73.43 -35.99 65.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.878 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 5.7 t -93.88 -35.45 12.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.845 -179.783 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.431 ' O ' HD12 ' A' ' 119' ' ' LEU . 3.5 tp -56.87 -57.04 14.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.894 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 34.3 t -44.44 -41.22 6.1 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.876 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 11.8 mmp_? -46.93 -50.86 18.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.897 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 122' ' ' TYR . . . . . 0.668 ' HB2' HD11 ' A' ' 94' ' ' ILE . 17.1 t80 -40.94 -53.28 2.97 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.893 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 10.4 tptp -73.28 -48.75 32.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.903 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 36.5 mm-40 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.917 179.96 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.4 ' O ' ' N ' ' A' ' 18' ' ' ASP . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 61.6 mt -38.49 -52.54 1.59 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.762 0.315 . . . . 0.0 110.939 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -60.05 -40.53 89.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.917 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.4 ' N ' ' O ' ' A' ' 15' ' ' GLY . 11.1 m-20 -66.17 -28.85 69.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.852 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.507 ' HA ' HD12 ' A' ' 22' ' ' ILE . 25.7 mt-30 -67.53 -45.72 74.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.926 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 27.0 tttt -43.15 -43.77 4.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.89 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.9 tpt180 -66.13 -50.36 64.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.856 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.507 HD12 ' HA ' ' A' ' 19' ' ' GLN . 59.1 mt -51.59 -46.69 37.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.168 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.411 ' CG ' ' HB3' ' A' ' 116' ' ' PHE . 21.7 m-85 -66.79 -47.05 73.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.945 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.499 ' O ' ' ND2' ' A' ' 28' ' ' ASN . 53.5 m -46.26 -45.01 16.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.125 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -71.15 -38.94 72.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.896 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' TRP . . . . . 0.574 ' CZ2' ' HA ' ' A' ' 120' ' ' SER . 76.8 t90 -54.53 -47.08 73.57 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.937 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.847 ' HB1' HG12 ' A' ' 56' ' ' ILE . . . -71.84 -42.85 66.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.11 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.499 ' ND2' ' O ' ' A' ' 24' ' ' THR . 1.8 m-80 -45.5 -43.24 11.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.855 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 2.8 t60 -54.05 -49.22 69.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.496 ' HB2' HG23 ' A' ' 56' ' ' ILE . 79.0 m-85 -65.47 -19.97 66.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.941 -179.881 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.547 HD11 HD21 ' A' ' 52' ' ' LEU . 27.2 mt -86.35 -39.61 16.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.907 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -77.78 -27.31 50.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.117 179.8 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.5 ptmm? -70.54 -35.72 73.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.938 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.1 m -92.49 24.07 3.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.851 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 50.45 71.13 0.68 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.494 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.455 ' CE1' ' HB3' ' A' ' 38' ' ' ARG . 12.7 t-80 -110.18 128.76 55.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.867 0.365 . . . . 0.0 110.869 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.0 mptt -84.05 46.68 1.22 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.455 ' HB3' ' CE1' ' A' ' 36' ' ' HIS . 40.1 ttm180 -174.78 153.55 1.77 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.886 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 39.8 mt -132.6 178.96 6.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.936 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.69 HG23 ' HB2' ' A' ' 46' ' ' ASP . 96.7 mt -100.94 115.03 41.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.152 179.81 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 69.6 mtm180 -88.8 -60.45 1.96 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.909 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.473 ' O ' ' N ' ' A' ' 45' ' ' GLN . 1.6 m-20 -113.82 98.92 7.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.856 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.668 HD11 ' CE2' ' A' ' 116' ' ' PHE . 13.1 tp -41.27 -39.87 1.48 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.902 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.543 ' CD ' HD13 ' A' ' 109' ' ' LEU . 26.1 mt-30 -67.71 -35.71 79.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.912 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.473 ' N ' ' O ' ' A' ' 42' ' ' ASP . 30.0 mt-30 -97.78 5.31 49.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.927 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.69 ' HB2' HG23 ' A' ' 40' ' ' ILE . 0.2 OUTLIER -94.57 -30.34 14.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 179.932 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.643 HG12 ' HB2' ' A' ' 53' ' ' LEU . 23.8 m -108.32 33.41 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.09 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 2.5 p -85.08 -35.93 21.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.146 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -98.96 -21.34 16.31 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.829 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 89.17 -24.65 12.58 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.47 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 58.8 t -54.71 -69.85 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.815 0.341 . . . . 0.0 111.105 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.674 ' O ' HD12 ' A' ' 56' ' ' ILE . 2.2 tt -50.82 -41.98 57.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.893 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.831 HD11 HD11 ' A' ' 57' ' ' ILE . 2.4 tp -52.52 -47.31 66.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.885 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.94 -37.37 85.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.085 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.524 ' O ' HG23 ' A' ' 59' ' ' VAL . 82.3 mt-30 -48.36 -22.82 0.76 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.965 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.847 HG12 ' HB1' ' A' ' 27' ' ' ALA . 5.3 mp -98.14 -49.0 12.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.137 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.831 HD11 HD11 ' A' ' 53' ' ' LEU . 79.7 mt -51.36 -49.3 31.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.093 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -56.77 -28.56 61.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.926 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.524 HG23 ' O ' ' A' ' 55' ' ' GLN . 10.6 t -79.75 -66.25 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.143 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.406 HG13 ' N ' ' A' ' 61' ' ' ALA . 6.2 p -50.29 -42.08 20.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.141 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.406 ' N ' HG13 ' A' ' 60' ' ' VAL . . . -83.66 -12.37 56.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.093 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 57.2 t30 56.88 41.37 28.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.939 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -139.6 160.85 38.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 10.7 ttpt -110.7 131.03 55.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.409 ' CG2' HG12 ' A' ' 68' ' ' ILE . 12.4 mt -97.54 118.76 44.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.113 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -87.79 -17.71 31.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.91 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.508 ' HB3' ' HB1' ' A' ' 84' ' ' ALA . 13.9 t0 -86.49 33.77 0.64 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.868 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.409 HG12 ' CG2' ' A' ' 65' ' ' ILE . 44.6 mm -114.31 129.68 69.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.114 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -64.42 -70.89 0.2 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.857 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 106.6 -39.36 2.9 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.494 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 10.8 t -133.63 75.29 68.92 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.604 0.716 . . . . 0.0 110.891 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 140.15 41.96 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.65 2.233 . . . . 0.0 112.384 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 22.6 mmtp -130.32 -36.26 1.5 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.9 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -90.12 166.82 13.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.949 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -70.11 -25.54 63.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.461 ' O ' ' N ' ' A' ' 79' ' ' ILE . 24.4 p -91.05 -43.31 10.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.866 -179.818 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -41.11 -35.88 0.63 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.917 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 18.3 mtt -66.59 -39.06 88.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.905 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.461 ' N ' ' O ' ' A' ' 76' ' ' SER . 16.8 mm -51.31 -56.45 5.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.159 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -43.62 -54.21 5.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.865 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -40.32 -69.46 0.13 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 24.1 mt -54.14 -43.4 59.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.111 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -50.15 -56.59 10.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.508 ' HB1' ' HB3' ' A' ' 67' ' ' ASP . . . -49.17 -46.38 45.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.113 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 83.9 m -58.27 -39.85 80.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.886 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 45.7 mt -66.57 -45.41 79.39 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.912 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 58.0 m-80 -68.05 -34.28 76.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.888 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.46 ' CD1' ' C ' ' A' ' 88' ' ' PHE . 2.1 t80 -70.36 -42.48 71.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.855 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 30.5 mt -68.98 -40.56 78.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.913 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -55.75 -42.49 75.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.086 179.789 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -59.55 -25.82 64.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.143 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 38.1 mmtt -79.9 -23.43 41.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.928 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 118.61 36.61 0.9 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.505 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.751 HD11 ' HB2' ' A' ' 122' ' ' TYR . 61.9 mt . . . . . 0 C--N 1.33 -0.278 0 CA-C-O 120.879 0.371 . . . . 0.0 111.093 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 60.1 mt -59.86 168.52 1.75 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.755 0.312 . . . . 0.0 110.96 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 22.4 m -153.85 107.46 2.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.841 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -45.48 -52.13 10.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.104 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -51.1 -49.21 61.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.878 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -61.41 -42.37 98.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.477 ' CG2' HG23 ' A' ' 47' ' ' VAL . 58.6 mt -61.07 -45.54 98.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.116 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 28.3 ttt-85 -61.26 -28.95 69.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.878 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 35.1 m-20 -74.81 -25.5 59.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.893 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 96.54 24.39 14.01 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.483 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' ASN . . . . . 0.672 ' O ' HD12 ' A' ' 112' ' ' ILE . 59.8 t30 -71.93 104.43 3.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.806 0.336 . . . . 0.0 110.882 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.543 HD13 ' CD ' ' A' ' 44' ' ' GLN . 10.8 tp -40.89 -52.49 3.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.923 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 3.8 mmmm -45.46 -40.58 8.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.954 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -70.73 -65.71 0.7 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.109 179.781 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.743 ' H ' HD12 ' A' ' 112' ' ' ILE . 5.3 mp -44.36 -61.08 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.116 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.418 ' O ' ' CB ' ' A' ' 117' ' ' PHE . 63.5 mt -46.44 -39.24 10.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.974 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -64.76 -37.63 94.59 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.489 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.999 HD23 ' N ' ' A' ' 116' ' ' PHE . 0.1 OUTLIER -69.68 -58.84 3.44 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.922 0.391 . . . . 0.0 110.969 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.999 ' N ' HD23 ' A' ' 115' ' ' LEU . 10.7 m-85 -63.68 -15.51 58.57 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.931 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 117' ' ' PHE . . . . . 0.568 ' CD1' ' C ' ' A' ' 117' ' ' PHE . 0.6 OUTLIER -77.49 -35.83 53.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.875 -179.958 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 9.9 p -93.86 -34.18 13.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.813 -179.765 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 14.0 tp -60.01 -53.48 57.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.933 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 120' ' ' SER . . . . . 0.574 ' HA ' ' CZ2' ' A' ' 26' ' ' TRP . 8.9 t -50.43 -32.4 17.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 36.6 mtp85 -63.07 -48.38 78.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.862 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 122' ' ' TYR . . . . . 0.751 ' HB2' HD11 ' A' ' 94' ' ' ILE . 0.4 OUTLIER -39.6 -43.0 1.26 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.925 -179.87 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 8.6 tptp -88.94 -54.76 3.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.905 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 22.0 mm-40 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 179.989 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.432 ' O ' ' C ' ' A' ' 16' ' ' LEU . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.521 ' HB3' HD23 ' A' ' 109' ' ' LEU . 86.5 mt -35.93 -58.22 0.65 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.794 0.33 . . . . 0.0 110.931 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -55.12 -43.93 74.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.923 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -60.28 -32.71 71.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.87 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.515 ' HA ' HD12 ' A' ' 22' ' ' ILE . 31.5 mt-30 -61.29 -53.57 55.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.909 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.714 ' HB2' HD11 ' A' ' 109' ' ' LEU . 40.9 tttt -36.16 -48.78 0.64 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.926 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.459 ' HD2' ' N ' ' A' ' 22' ' ' ILE . 1.6 tmm_? -59.35 -59.09 6.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.859 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.515 HD12 ' HA ' ' A' ' 19' ' ' GLN . 62.0 mt -41.41 -50.32 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.124 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.525 ' HB2' HD22 ' A' ' 43' ' ' LEU . 24.9 m-85 -67.42 -51.16 55.07 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.907 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 53.4 m -41.48 -58.38 1.92 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.12 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -60.0 -41.75 92.76 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.87 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 81.0 t90 -53.69 -44.33 69.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.92 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.628 ' HB1' HG12 ' A' ' 56' ' ' ILE . . . -75.0 -38.41 61.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.053 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.809 ' OD1' HD22 ' A' ' 39' ' ' LEU . 1.9 m-80 -48.86 -32.36 8.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.877 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -64.38 -53.16 53.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.423 ' HB2' HG23 ' A' ' 56' ' ' ILE . 78.5 m-85 -60.81 -21.62 63.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.878 -179.829 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.419 HD11 HD21 ' A' ' 52' ' ' LEU . 19.2 mt -86.64 -41.9 13.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.889 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -72.27 -27.65 62.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.151 179.773 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.5 ptmt -70.96 -39.65 72.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.898 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.4 t -84.8 26.64 0.81 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.895 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 49.21 58.04 8.38 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.489 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.631 ' CE1' ' HB3' ' A' ' 38' ' ' ARG . 40.1 t-80 -96.72 122.75 40.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.855 0.36 . . . . 0.0 110.841 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -79.19 50.34 1.05 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.631 ' HB3' ' CE1' ' A' ' 36' ' ' HIS . 33.9 ttm180 -176.07 169.65 2.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.89 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.809 HD22 ' OD1' ' A' ' 28' ' ' ASN . 59.5 mt -144.12 171.95 13.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.923 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.478 HG23 ' CG ' ' A' ' 46' ' ' ASP . 44.3 mt -94.71 112.49 27.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.129 179.801 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 6.7 tpm_? -84.64 -61.91 1.68 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.857 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.424 ' HA ' ' CE ' ' A' ' 20' ' ' LYS . 6.3 m-20 -114.94 100.03 7.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.849 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.85 HD11 ' CE2' ' A' ' 116' ' ' PHE . 13.8 tp -44.85 -24.29 0.2 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.868 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 44.2 mt-30 -78.23 -39.93 38.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.894 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.707 ' HA ' HG23 ' A' ' 48' ' ' THR . 96.2 mm-40 -85.69 -54.65 4.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.478 ' CG ' HG23 ' A' ' 40' ' ' ILE . 5.2 m-20 -42.55 -23.49 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.869 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.611 HG22 ' O ' ' A' ' 43' ' ' LEU . 11.3 m -111.05 39.54 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.125 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.707 HG23 ' HA ' ' A' ' 45' ' ' GLN . 7.0 p -94.04 -32.59 13.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.127 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.491 ' O ' ' ND2' ' A' ' 81' ' ' ASN . 0.1 OUTLIER -101.49 -11.97 18.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 179.909 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 78.21 -13.26 15.88 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.501 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.573 HG21 ' O ' ' A' ' 70' ' ' GLY . 62.7 t -66.65 -65.11 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.851 0.358 . . . . 0.0 111.151 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.636 HD23 ' O ' ' A' ' 52' ' ' LEU . 2.0 tt -56.67 -28.79 61.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.943 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.594 ' O ' HD12 ' A' ' 53' ' ' LEU . 1.2 tp -64.83 -56.22 14.81 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.879 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.513 ' HB1' HD12 ' A' ' 65' ' ' ILE . . . -56.99 -36.52 70.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.115 179.77 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.521 ' O ' HG23 ' A' ' 59' ' ' VAL . 37.0 mt-30 -44.18 -30.46 0.78 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.628 HG12 ' HB1' ' A' ' 27' ' ' ALA . 5.0 mp -90.98 -45.38 14.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.117 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.501 HD11 HD11 ' A' ' 53' ' ' LEU . 15.8 mt -54.95 -42.61 64.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.134 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 29.6 mt-30 -68.63 -17.46 64.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.922 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.521 HG23 ' O ' ' A' ' 55' ' ' GLN . 78.7 t -93.79 -36.81 7.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.105 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.613 HG12 ' O ' ' A' ' 56' ' ' ILE . 3.3 p -84.93 -27.4 6.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.171 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -94.89 -13.42 25.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.135 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 5.6 m120 61.0 47.08 7.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.925 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 8.4 tm-20 -152.35 161.07 43.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 21.3 ttpt -110.22 132.0 54.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.904 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.513 HD12 ' HB1' ' A' ' 54' ' ' ALA . 12.7 mt -94.77 102.83 14.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.119 179.866 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -74.09 -15.74 61.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -86.52 37.24 0.73 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.909 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 30.7 mm -117.62 120.75 65.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.161 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.801 ' C ' HD21 ' A' ' 69' ' ' ASN . 0.1 OUTLIER -60.44 -50.71 72.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.872 179.919 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 70' ' ' GLY . . . . . 0.573 ' O ' HG21 ' A' ' 51' ' ' VAL . . . 101.7 -75.71 0.35 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.428 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 1.8 m -112.61 76.56 2.12 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.652 0.739 . . . . 0.0 110.899 -179.834 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.82 137.24 34.84 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.682 2.255 . . . . 0.0 112.308 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.26 -21.22 5.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.901 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -92.52 140.32 29.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.916 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 5.8 tpt180 -48.29 -24.99 1.36 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.879 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 65.4 p -96.87 -28.13 14.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.852 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 6.8 mm-40 -47.42 -41.1 19.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.887 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 2.1 mpt? -66.27 -46.42 77.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 47.5 mm -41.15 -51.82 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.11 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -52.41 -44.47 65.39 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.915 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.491 ' ND2' ' O ' ' A' ' 49' ' ' ASP . 3.0 m120 -47.47 -70.45 0.09 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.921 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.751 ' H ' HD12 ' A' ' 82' ' ' ILE . 5.3 mp -50.5 -41.0 19.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.134 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -56.46 -47.15 79.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.897 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -53.25 -48.1 68.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.083 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 34.1 m -58.64 -45.06 90.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 79.2 mt -59.22 -45.31 91.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 68.9 m-80 -69.85 -38.85 76.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.457 ' CZ ' ' NZ ' ' A' ' 92' ' ' LYS . 1.3 t80 -62.56 -40.0 95.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.884 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 27.2 mt -67.6 -49.97 60.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.974 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -49.26 -41.02 36.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.144 179.745 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -63.07 -26.44 68.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.128 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.457 ' NZ ' ' CZ ' ' A' ' 88' ' ' PHE . 28.9 mmtp -80.62 -13.56 58.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 106.77 33.97 3.16 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.506 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.643 HD11 ' HB2' ' A' ' 122' ' ' TYR . 47.1 mt . . . . . 0 C--N 1.329 -0.294 0 CA-C-O 120.822 0.344 . . . . 0.0 111.112 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.252 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 78.3 mt -64.95 159.65 22.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.847 0.356 . . . . 0.0 110.882 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 42.4 m -137.9 107.95 6.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.854 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.405 ' HA ' HG21 ' A' ' 82' ' ' ILE . . . -49.37 -37.29 24.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.07 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -63.97 -50.12 69.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.865 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -55.51 -40.54 71.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.888 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.666 HD12 ' CG2' ' A' ' 82' ' ' ILE . 16.8 mt -63.73 -44.57 98.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.11 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 8.3 ttt85 -57.58 -32.2 66.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.848 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 39.9 m-20 -77.85 -24.28 48.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 96.35 35.07 5.6 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.516 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' ASN . . . . . 0.686 ' O ' HD12 ' A' ' 112' ' ' ILE . 4.2 t-20 -78.88 106.23 10.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.82 0.343 . . . . 0.0 110.897 -179.881 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.714 HD11 ' HB2' ' A' ' 20' ' ' LYS . 8.7 tp -43.93 -51.11 7.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 3.6 mmmp? -51.2 -31.53 20.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.866 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -78.63 -60.45 2.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.167 179.784 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.792 ' H ' HD12 ' A' ' 112' ' ' ILE . 4.9 mp -51.08 -57.74 2.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.164 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.454 HD13 ' OE1' ' A' ' 19' ' ' GLN . 62.8 mt -40.88 -49.66 3.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.912 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -53.87 -42.77 70.24 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.449 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 1.001 HD23 ' N ' ' A' ' 116' ' ' PHE . 0.2 OUTLIER -64.19 -59.96 3.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.859 0.361 . . . . 0.0 110.95 -179.939 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 1.001 ' N ' HD23 ' A' ' 115' ' ' LEU . 10.9 m-85 -64.45 -16.31 62.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 117' ' ' PHE . . . . . 0.423 ' CD1' ' C ' ' A' ' 117' ' ' PHE . 9.0 t80 -76.79 -32.53 57.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.868 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 3.0 m -94.62 -46.17 7.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.868 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 8.2 tp -45.55 -54.54 7.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.911 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 25.2 p -47.29 -43.48 22.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 65.4 mtp180 -51.43 -53.2 39.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.914 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 122' ' ' TYR . . . . . 0.643 ' HB2' HD11 ' A' ' 94' ' ' ILE . 1.0 OUTLIER -42.02 -47.02 4.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.958 -179.9 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 16.5 tptp -72.21 -53.86 11.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.902 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.929 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 N-CA-C 112.459 -0.256 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 89.5 mt -39.41 -56.7 1.54 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.768 0.318 . . . . 0.0 110.955 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.452 ' OE2' HD22 ' A' ' 109' ' ' LEU . 27.3 mm-40 -55.0 -42.45 72.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.41 -38.04 85.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.839 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.432 ' O ' ' C ' ' A' ' 20' ' ' LYS . 20.5 mt-30 -55.36 -54.87 38.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.9 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' A' ' 19' ' ' GLN . 29.3 tttt -34.39 -41.57 0.12 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.428 ' O ' ' C ' ' A' ' 22' ' ' ILE . 28.8 ttt85 -67.63 -60.4 2.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.854 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.428 ' C ' ' O ' ' A' ' 21' ' ' ARG . 92.7 mt -35.8 -53.87 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.146 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 25.0 m-85 -66.15 -45.79 79.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.854 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.516 HG22 ' ND2' ' A' ' 28' ' ' ASN . 59.3 m -46.19 -55.03 7.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.139 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -62.14 -41.18 98.02 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.863 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 80.8 t90 -57.12 -55.15 38.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.939 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.78 ' HB1' HD13 ' A' ' 56' ' ' ILE . . . -63.66 -50.24 70.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.101 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.516 ' ND2' HG22 ' A' ' 24' ' ' THR . 19.9 m-20 -40.63 -43.37 1.9 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.848 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' HIS . . . . . 0.55 ' CE1' ' HE2' ' A' ' 33' ' ' LYS . 6.5 t60 -51.71 -46.86 64.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.82 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.44 ' HB2' HG23 ' A' ' 56' ' ' ILE . 82.8 m-85 -63.75 -23.78 67.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.992 -179.862 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.45 ' O ' ' CB ' ' A' ' 36' ' ' HIS . 19.3 mt -80.84 -40.68 24.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.919 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -71.43 -46.45 60.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.072 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.55 ' HE2' ' CE1' ' A' ' 29' ' ' HIS . 12.1 ptpt -57.55 -35.56 70.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.914 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.43 ' O ' ' C ' ' A' ' 35' ' ' GLY . 7.1 t -88.13 38.03 0.84 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.891 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.43 ' C ' ' O ' ' A' ' 34' ' ' SER . . . 35.71 65.33 0.47 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.493 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.594 ' CE1' ' HB3' ' A' ' 38' ' ' ARG . 49.0 t-80 -111.75 135.84 51.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.859 0.361 . . . . 0.0 110.848 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 40.3 mttp -97.34 53.89 1.18 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.898 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.594 ' HB3' ' CE1' ' A' ' 36' ' ' HIS . 9.5 ttp-105 -176.05 133.27 0.25 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.865 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 45.5 mt -109.4 -175.46 2.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.938 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.803 HD11 HD11 ' A' ' 56' ' ' ILE . 68.4 mt -102.57 113.05 38.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.143 179.815 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 18.3 mmt180 -83.48 -65.69 0.98 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.864 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.427 ' O ' ' N ' ' A' ' 46' ' ' ASP . 1.0 OUTLIER -115.32 98.06 6.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.822 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.416 HD11 ' CE2' ' A' ' 116' ' ' PHE . 15.2 tp -38.11 -38.38 0.33 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.939 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.831 ' O ' HG23 ' A' ' 48' ' ' THR . 17.9 mt-30 -66.49 -46.99 74.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.931 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.41 ' N ' ' O ' ' A' ' 42' ' ' ASP . 5.0 mm100 -84.27 -8.14 59.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.958 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.772 ' CG ' HG23 ' A' ' 40' ' ' ILE . 0.9 OUTLIER -90.46 -3.61 57.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 179.913 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 15.4 m -127.49 -10.28 4.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.137 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.831 HG23 ' O ' ' A' ' 44' ' ' GLN . 11.2 p -60.18 -42.21 94.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.133 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -81.19 -30.72 34.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.857 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 87.91 -28.59 5.92 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.466 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 60.1 t -55.92 -67.46 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.897 0.379 . . . . 0.0 111.114 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.737 HD13 ' OD2' ' A' ' 46' ' ' ASP . 1.3 tt -54.82 -38.2 67.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.908 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.492 HD11 HD11 ' A' ' 57' ' ' ILE . 1.9 tp -56.04 -55.42 33.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.449 ' O ' ' N ' ' A' ' 56' ' ' ILE . . . -54.81 -45.3 74.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.085 179.845 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.438 ' O ' HG23 ' A' ' 59' ' ' VAL . 35.2 mt-30 -39.11 -27.87 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.922 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.803 HD11 HD11 ' A' ' 40' ' ' ILE . 18.0 mt -90.0 -53.65 8.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.125 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.492 HD11 HD11 ' A' ' 53' ' ' LEU . 66.6 mt -47.99 -46.18 12.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.148 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -58.47 -29.04 65.89 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.907 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.438 HG23 ' O ' ' A' ' 55' ' ' GLN . 98.2 t -82.43 -57.84 4.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.074 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 7.5 p -62.3 -26.08 39.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.098 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.446 ' HB3' ' O ' ' A' ' 57' ' ' ILE . . . -96.28 -10.45 27.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.113 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 18.5 m-80 56.3 32.99 21.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.86 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -139.03 170.54 15.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 20.1 tttt -119.93 137.52 54.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.957 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.471 ' HB ' ' CG1' ' A' ' 68' ' ' ILE . 23.4 mt -97.69 114.03 33.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.131 179.872 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -74.4 -27.84 60.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.877 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.496 ' O ' ' HB2' ' A' ' 84' ' ' ALA . 13.3 m-20 -79.61 44.19 0.61 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.893 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.471 ' CG1' ' HB ' ' A' ' 65' ' ' ILE . 32.8 mm -118.42 128.58 75.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.162 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 46.7 t-20 -75.36 -58.54 3.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.919 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 98.51 -36.6 3.9 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.519 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 33.7 m -129.72 73.78 81.23 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.649 0.738 . . . . 0.0 110.887 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 106.72 1.72 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.689 2.259 . . . . 0.0 112.335 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 23.7 mtmm -109.39 -48.05 3.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.911 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 25.0 t30 -63.59 168.2 4.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.908 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 10.1 tpp180 -71.93 -37.09 70.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.878 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 67.3 p -90.91 -24.27 20.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.845 -179.786 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 6.4 mm-40 -47.09 -47.65 22.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.891 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 14.6 mtt -52.84 -49.96 64.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.902 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.437 ' O ' ' C ' ' A' ' 80' ' ' GLU . 51.0 mm -41.58 -62.82 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.105 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.437 ' C ' ' O ' ' A' ' 79' ' ' ILE . 24.7 mm-40 -35.23 -60.68 0.47 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 21.7 m-20 -39.21 -69.22 0.13 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.849 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.575 HD11 ' O ' ' A' ' 48' ' ' THR . 46.2 mt -52.77 -38.7 28.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.179 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -56.93 -50.19 73.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.89 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.496 ' HB2' ' O ' ' A' ' 67' ' ' ASP . . . -51.21 -44.09 61.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.122 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' CYS . . . . . 0.44 ' HB3' ' CD1' ' A' ' 57' ' ' ILE . 56.5 m -61.18 -44.1 97.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 -179.895 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 53.9 mt -63.37 -54.52 35.52 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.94 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 66.3 m-80 -62.76 -37.28 86.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.869 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.445 ' HE2' HG22 ' A' ' 57' ' ' ILE . 27.3 t80 -67.07 -35.55 80.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.872 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 44.7 mt -74.38 -43.9 54.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.919 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -50.91 -50.61 57.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.085 179.819 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -51.14 -30.25 16.01 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.091 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.411 ' NZ ' ' HB1' ' A' ' 61' ' ' ALA . 22.6 mmtp -74.79 -25.17 58.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.879 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 118.66 38.42 0.77 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.471 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.789 HD11 ' HB2' ' A' ' 122' ' ' TYR . 62.3 mt . . . . . 0 C--N 1.329 -0.309 0 CA-C-O 120.877 0.37 . . . . 0.0 111.131 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 42.3 mt -64.29 177.01 0.91 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.815 0.341 . . . . 0.0 110.925 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 4.1 m -158.41 112.91 2.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.859 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -47.48 -46.57 27.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.082 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -54.34 -52.35 61.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.914 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -58.37 -47.1 84.92 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.939 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 45.7 mt -57.95 -42.03 81.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.155 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 7.2 ttt-85 -63.24 -28.43 70.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.896 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 14.7 m120 -73.15 -28.39 62.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.888 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 97.38 25.01 11.41 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.419 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' ASN . . . . . 0.85 ' O ' HD12 ' A' ' 112' ' ' ILE . 40.6 t-20 -74.16 109.11 7.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.851 0.358 . . . . 0.0 110.92 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.456 ' CD2' HD11 ' A' ' 113' ' ' LEU . 3.1 tp -43.3 -50.74 6.55 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 4.5 mmmp? -51.38 -35.14 37.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.858 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -75.63 -60.75 2.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.095 179.833 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.85 HD12 ' O ' ' A' ' 108' ' ' ASN . 5.4 mp -52.06 -61.05 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.131 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.456 HD11 ' CD2' ' A' ' 109' ' ' LEU . 90.7 mt -39.12 -42.69 0.96 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.953 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -58.93 -50.04 71.92 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.484 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.945 HD23 ' N ' ' A' ' 116' ' ' PHE . 0.3 OUTLIER -52.09 -59.21 4.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.897 0.38 . . . . 0.0 110.931 -179.941 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.945 ' N ' HD23 ' A' ' 115' ' ' LEU . 10.9 m-85 -64.29 -28.38 69.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 117' ' ' PHE . . . . . 0.485 ' CD1' ' C ' ' A' ' 117' ' ' PHE . 1.9 t80 -62.92 -34.09 76.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.865 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 46.0 m -94.84 -48.42 6.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.832 -179.774 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 12.6 tp -41.92 -55.57 3.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.908 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 3.0 t -46.01 -44.18 14.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.805 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 121' ' ' ARG . . . . . 0.444 ' HB3' ' NH1' ' A' ' 121' ' ' ARG . 11.7 mtp-105 -50.1 -54.68 18.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.836 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 122' ' ' TYR . . . . . 0.789 ' HB2' HD11 ' A' ' 94' ' ' ILE . 2.7 t80 -39.51 -44.64 1.44 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.895 -179.854 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 20.5 tptp -79.31 -44.77 20.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.927 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 179.918 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 N-CA-C 112.532 -0.227 . . . . 0.0 112.532 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.525 ' O ' HD11 ' A' ' 113' ' ' LEU . 95.6 mt -44.8 -59.4 2.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.753 0.311 . . . . 0.0 110.916 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.454 ' HG2' ' N ' ' A' ' 18' ' ' ASP . 1.9 pm0 -55.4 -33.27 63.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.905 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.454 ' N ' ' HG2' ' A' ' 17' ' ' GLU . 1.1 m-20 -71.41 -35.01 70.85 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.536 ' HA ' HD12 ' A' ' 22' ' ' ILE . 22.8 mt-30 -60.68 -43.95 97.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.919 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 35.1 tttt -41.68 -40.73 2.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 17.5 tpt180 -68.61 -50.88 48.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.536 HD12 ' HA ' ' A' ' 19' ' ' GLN . 66.3 mt -48.79 -45.81 15.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.169 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 29.8 m-85 -68.25 -45.25 73.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.492 ' O ' ' ND2' ' A' ' 28' ' ' ASN . 53.3 m -44.41 -51.35 8.71 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.18 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -62.78 -42.98 99.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.849 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 66.9 t90 -53.08 -51.66 61.1 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.882 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.837 ' HB1' HG12 ' A' ' 56' ' ' ILE . . . -67.11 -38.83 86.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.118 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.687 ' OD1' HD22 ' A' ' 39' ' ' LEU . 1.3 m-80 -48.07 -47.77 33.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.866 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 7.7 t60 -48.13 -54.01 14.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.885 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 83.7 m-85 -57.81 -27.5 63.18 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.912 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.561 HD11 HD21 ' A' ' 52' ' ' LEU . 12.0 mt -78.74 -45.79 20.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.886 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.69 -45.15 87.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.101 179.793 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.6 ptmm? -58.29 -35.43 71.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.886 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 38.0 t -91.81 31.79 1.18 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.864 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 46.46 69.63 0.81 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.509 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.535 ' CG ' HD22 ' A' ' 31' ' ' LEU . 57.9 t-80 -134.11 78.63 1.77 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.886 0.374 . . . . 0.0 110.841 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.455 ' C ' ' O ' ' A' ' 36' ' ' HIS . 26.4 mttm -34.16 -63.88 0.26 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.911 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.425 ' HB3' ' CE1' ' A' ' 36' ' ' HIS . 47.0 ttm-85 -42.4 151.72 0.11 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.864 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.687 HD22 ' OD1' ' A' ' 28' ' ' ASN . 66.2 mt -135.62 169.98 16.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.932 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.416 HD12 ' HB3' ' A' ' 27' ' ' ALA . 91.8 mt -85.03 103.08 11.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.098 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 37.2 mmt-85 -83.16 -58.05 3.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.848 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.413 ' O ' ' N ' ' A' ' 46' ' ' ASP . 1.1 m-20 -115.15 101.29 8.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.874 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.767 ' O ' HG22 ' A' ' 47' ' ' VAL . 10.9 tp -54.67 -37.73 66.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.893 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.679 ' HG2' HD13 ' A' ' 112' ' ' ILE . 16.8 mt-30 -77.43 4.13 11.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.919 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 9.2 mm-40 -129.92 -19.36 3.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.907 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.413 ' N ' ' O ' ' A' ' 42' ' ' ASP . 42.0 m-20 -87.96 -26.35 22.71 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.864 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.767 HG22 ' O ' ' A' ' 43' ' ' LEU . 34.5 m -90.56 -24.98 5.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.182 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 66.7 p -51.37 -45.03 62.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.13 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -74.46 -29.85 61.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.881 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 83.36 -24.91 5.24 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.479 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 86.5 t -59.16 -64.13 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.846 0.355 . . . . 0.0 111.147 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.561 HD21 HD11 ' A' ' 31' ' ' LEU . 2.0 tt -59.33 -37.98 79.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.913 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.591 HD11 HD11 ' A' ' 57' ' ' ILE . 1.7 tp -55.19 -50.12 70.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.406 ' O ' ' C ' ' A' ' 55' ' ' GLN . . . -60.52 -47.08 87.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.105 179.802 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.653 ' O ' HG23 ' A' ' 59' ' ' VAL . 50.5 mt-30 -37.29 -36.46 0.14 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.935 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.837 HG12 ' HB1' ' A' ' 27' ' ' ALA . 3.2 mp -80.52 -49.35 18.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.132 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.591 HD11 HD11 ' A' ' 53' ' ' LEU . 49.7 mt -54.69 -60.43 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.098 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 44.3 mt-30 -45.0 -25.49 0.32 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.92 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.653 HG23 ' O ' ' A' ' 55' ' ' GLN . 83.1 t -86.25 -69.04 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.147 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.419 HG12 ' O ' ' A' ' 56' ' ' ILE . 5.2 p -46.34 -23.56 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.145 179.866 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.756 ' HB1' ' NZ ' ' A' ' 92' ' ' LYS . . . -100.41 -22.55 15.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.131 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.413 ' N ' ' O ' ' A' ' 59' ' ' VAL . 18.4 t30 70.24 31.31 3.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.937 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -133.19 177.5 7.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.878 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 20.1 tttt -126.11 138.54 53.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.927 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.478 ' HB ' ' CG1' ' A' ' 68' ' ' ILE . 15.0 mt -99.72 115.74 41.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.154 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -78.51 -23.25 46.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.469 ' O ' ' HB2' ' A' ' 84' ' ' ALA . 4.7 m-20 -83.75 42.3 0.84 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.854 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.478 ' CG1' ' HB ' ' A' ' 65' ' ' ILE . 35.4 mm -116.82 113.25 42.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.104 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 -54.24 -54.59 37.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.863 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 104.21 -61.38 0.42 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.475 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 4.0 t -116.69 77.47 8.26 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.573 0.701 . . . . 0.0 110.871 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 131.08 20.5 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.732 2.288 . . . . 0.0 112.367 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 27.9 mtmm -129.61 -49.96 1.16 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.881 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -73.31 170.53 14.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.902 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 27.0 ttm180 -61.75 -54.03 47.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.853 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.422 ' HA ' ' CG1' ' A' ' 79' ' ' ILE . 1.3 t -68.01 -37.75 81.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.863 -179.828 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 6.5 mm-40 -39.61 -48.47 2.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.91 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 15.3 mtm -66.87 -37.65 84.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.422 ' CG1' ' HA ' ' A' ' 76' ' ' SER . 36.3 mm -50.43 -52.57 15.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.133 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -52.0 -47.68 64.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.869 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -45.3 -65.23 0.56 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.893 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 15.3 mt -60.83 -45.46 97.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.157 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -48.11 -48.4 33.86 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.831 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.469 ' HB2' ' O ' ' A' ' 67' ' ' ASP . . . -54.77 -43.57 72.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.131 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 32.1 m -61.4 -43.11 99.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 42.5 mt -63.39 -52.78 60.19 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.881 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 68.3 m-80 -64.15 -37.94 89.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 16.6 t80 -67.61 -38.62 84.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 55.6 mt -71.35 -42.2 68.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.91 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -49.86 -49.91 47.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.107 179.811 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -52.22 -30.1 25.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.081 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.756 ' NZ ' ' HB1' ' A' ' 61' ' ' ALA . 20.2 mmtp -74.81 -23.06 58.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.862 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 116.84 34.69 1.23 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.492 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.517 HD11 ' HB2' ' A' ' 122' ' ' TYR . 54.7 mt . . . . . 0 C--N 1.329 -0.303 0 CA-C-O 120.871 0.367 . . . . 0.0 111.122 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.491 -0.243 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 47.4 mt -60.83 174.5 0.6 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.821 0.343 . . . . 0.0 110.899 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 37.9 m -151.41 117.13 5.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.878 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -57.51 -49.8 75.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.115 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -56.21 -40.01 73.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.888 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -65.79 -48.9 70.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.893 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 77.6 mt -55.84 -43.84 75.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.133 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 12.6 ttt-85 -60.49 -34.86 74.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.836 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 43.0 m-20 -68.74 -26.48 65.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.916 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 98.38 25.73 9.92 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.499 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 108' ' ' ASN . . . . . 0.565 ' O ' HD12 ' A' ' 112' ' ' ILE . 55.1 t30 -74.12 103.8 4.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.853 0.358 . . . . 0.0 110.906 -179.889 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.644 HD13 ' OE1' ' A' ' 44' ' ' GLN . 23.2 tp -39.97 -52.93 2.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.925 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 5.3 mmmm -43.86 -38.87 3.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -72.74 -61.17 1.9 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.1 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.687 ' H ' HD12 ' A' ' 112' ' ' ILE . 5.1 mp -46.92 -57.53 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.178 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.525 HD11 ' O ' ' A' ' 16' ' ' LEU . 28.1 mt -50.02 -48.17 52.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.943 179.861 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -56.91 -41.67 91.87 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.506 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.926 HD23 ' N ' ' A' ' 116' ' ' PHE . 0.4 OUTLIER -59.36 -61.93 2.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.862 0.363 . . . . 0.0 110.912 -179.934 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.926 ' N ' HD23 ' A' ' 115' ' ' LEU . 14.0 m-85 -65.07 -24.25 67.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.858 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 117' ' ' PHE . . . . . 0.534 ' CD1' ' C ' ' A' ' 117' ' ' PHE . 2.1 t80 -66.23 -36.71 83.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.839 -179.89 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 18.6 m -94.83 -50.01 5.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.855 -179.792 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 13.0 tp -42.5 -55.62 3.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.887 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 17.6 t -44.47 -42.9 7.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.881 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 68.8 mtp180 -47.5 -50.26 23.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.905 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 122' ' ' TYR . . . . . 0.517 ' HB2' HD11 ' A' ' 94' ' ' ILE . 8.2 t80 -40.06 -55.56 2.05 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.919 -179.85 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 13.7 tptp -67.65 -47.66 68.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.92 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.932 179.919 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.481 ' N ' ' HB2' ' A' ' 18' ' ' ASP . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.713 HD11 ' HE2' ' A' ' 110' ' ' LYS . 28.3 mt -35.88 -53.34 0.75 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.806 0.336 . . . . 0.0 110.92 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -64.75 -40.75 95.83 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.481 ' HB2' ' N ' ' A' ' 15' ' ' GLY . 10.9 m-20 -63.97 -29.43 70.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.491 ' HA ' HD12 ' A' ' 22' ' ' ILE . 33.8 mt-30 -67.19 -49.16 65.65 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 -179.879 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.586 ' HB2' HD11 ' A' ' 109' ' ' LEU . 30.3 tttt -44.0 -56.79 3.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.848 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 8.4 tpt180 -50.78 -53.99 27.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.865 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.491 HD12 ' HA ' ' A' ' 19' ' ' GLN . 84.3 mt -44.53 -47.36 2.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.111 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.502 ' CD1' ' HB3' ' A' ' 116' ' ' PHE . 25.8 m-85 -67.53 -53.05 31.86 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.892 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.407 ' O ' ' ND2' ' A' ' 28' ' ' ASN . 98.1 m -40.91 -53.45 2.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.123 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 21.6 t0 -67.19 -39.39 86.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.828 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 72.6 t90 -55.18 -45.54 75.78 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.939 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.701 ' HB1' HG12 ' A' ' 56' ' ' ILE . . . -71.19 -47.37 57.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.073 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.77 ' OD1' HD22 ' A' ' 39' ' ' LEU . 1.8 m-80 -37.09 -51.92 0.98 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.899 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 9.8 t60 -45.14 -63.69 0.88 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 71.1 m-85 -47.28 -46.78 25.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.889 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.47 HD11 HD21 ' A' ' 52' ' ' LEU . 13.0 mt -56.28 -60.79 2.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.981 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -69.44 -9.42 53.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.08 179.791 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -83.47 -31.88 26.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.87 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.8 t -99.85 27.04 5.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.918 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 57.95 70.81 0.88 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.461 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 8.3 t-80 -116.09 145.86 42.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.852 0.358 . . . . 0.0 110.845 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 5.1 mtpm? -102.86 47.57 0.88 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 25.1 ttt180 -172.35 147.43 1.95 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.77 HD22 ' OD1' ' A' ' 28' ' ' ASN . 17.1 mt -122.65 -178.3 3.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.861 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.856 HG23 ' HB2' ' A' ' 46' ' ' ASP . 96.6 mt -109.06 109.41 28.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.154 179.853 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 75.2 mtt180 -80.01 -64.15 1.25 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.91 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.462 ' O ' ' N ' ' A' ' 45' ' ' GLN . 60.8 m-20 -113.59 102.43 10.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.859 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.512 HD11 ' CE2' ' A' ' 116' ' ' PHE . 12.9 tp -37.06 -47.34 0.73 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.935 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 55.8 mt-30 -57.71 -42.87 84.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.904 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.462 ' N ' ' O ' ' A' ' 42' ' ' ASP . 12.3 mm100 -82.01 -16.76 49.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.927 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.856 ' HB2' HG23 ' A' ' 40' ' ' ILE . 0.2 OUTLIER -80.12 -7.54 58.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.848 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.689 HG12 ' HB2' ' A' ' 53' ' ' LEU . 20.3 m -132.46 34.5 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.07 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.2 p -88.21 -34.35 17.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.149 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.429 ' O ' ' CB ' ' A' ' 81' ' ' ASN . 10.0 m-20 -105.5 -19.23 13.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.875 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 90.32 -27.26 8.69 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.501 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 45.5 t -53.06 -70.51 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.907 0.384 . . . . 0.0 111.149 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.517 HD23 ' O ' ' A' ' 52' ' ' LEU . 1.3 tt -52.72 -36.64 57.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.95 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.689 ' HB2' HG12 ' A' ' 47' ' ' VAL . 1.6 tp -59.17 -50.8 72.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.915 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.13 -40.72 94.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.085 179.788 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.439 ' O ' HG23 ' A' ' 59' ' ' VAL . 21.2 mt-30 -42.5 -30.41 0.34 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.939 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.701 HG12 ' HB1' ' A' ' 27' ' ' ALA . 4.2 mp -88.43 -51.84 11.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.135 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.551 HD11 HD11 ' A' ' 53' ' ' LEU . 24.3 mt -48.1 -56.44 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.132 179.826 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 37.6 mt-30 -48.4 -30.74 5.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.938 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.439 HG23 ' O ' ' A' ' 55' ' ' GLN . 82.9 t -80.01 -68.59 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.093 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 3.5 p -48.52 -24.41 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.142 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -99.22 -21.17 16.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.073 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 67.16 35.7 4.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.895 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -137.29 177.99 7.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.908 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 7.0 ttmt -126.61 138.21 53.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.887 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 16.9 mt -101.97 103.23 14.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.15 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -71.6 -14.23 62.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -89.2 36.8 0.83 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.85 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 38.8 mm -114.84 112.2 39.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.115 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 39.2 t30 -48.69 -73.65 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.845 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 128.85 -58.29 0.71 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.503 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 2.1 m -128.76 81.21 71.22 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.627 0.727 . . . . 0.0 110.871 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 107.27 1.81 Allowed 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.705 2.27 . . . . 0.0 112.32 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 30.3 mmtm -96.62 -37.54 10.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.904 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 -79.85 161.86 25.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.884 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 13.9 ttt180 -63.2 -36.93 85.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.91 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.466 ' O ' ' N ' ' A' ' 78' ' ' MET . 58.7 p -82.4 -43.19 17.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 -179.801 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.401 ' C ' ' O ' ' A' ' 76' ' ' SER . 29.2 mt-30 -37.83 -29.37 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.944 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' MET . . . . . 0.466 ' N ' ' O ' ' A' ' 76' ' ' SER . 28.5 mtt -73.37 -46.24 50.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.88 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.465 ' N ' ' O ' ' A' ' 76' ' ' SER . 46.6 mm -45.51 -57.3 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.139 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.416 ' O ' ' C ' ' A' ' 81' ' ' ASN . 4.5 mm-40 -42.48 -61.38 1.23 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.897 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.429 ' CB ' ' O ' ' A' ' 49' ' ' ASP . 6.9 m-20 -36.03 -71.04 0.08 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.875 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 15.2 mt -51.54 -37.39 19.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.167 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -58.89 -47.71 84.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.868 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -52.6 -46.88 67.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.095 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' CYS . . . . . 0.428 ' HB3' ' CD1' ' A' ' 57' ' ' ILE . 68.4 m -58.42 -41.27 84.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 50.7 mt -65.96 -49.71 66.92 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.894 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 69.9 m-80 -65.5 -34.26 77.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.882 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 6.6 t80 -70.11 -37.66 75.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.878 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.411 HD21 HG23 ' A' ' 57' ' ' ILE . 29.1 mt -73.07 -39.88 65.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.971 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -54.12 -45.77 72.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.098 179.769 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -57.5 -22.46 44.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.13 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 20.4 mmtp -84.87 -19.37 32.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 114.66 35.64 1.38 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.453 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.444 HD11 ' CB ' ' A' ' 122' ' ' TYR . 58.0 mt . . . . . 0 C--N 1.329 -0.313 0 CA-C-O 120.843 0.354 . . . . 0.0 111.086 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.544 -0.222 . . . . 0.0 112.544 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 44.8 mt -66.66 179.84 0.99 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.856 0.36 . . . . 0.0 110.938 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 16.3 m -157.4 113.16 2.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.845 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -49.06 -50.01 38.71 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.083 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -49.25 -53.89 19.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.856 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -56.08 -44.42 78.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.866 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.598 HG22 ' O ' ' A' ' 47' ' ' VAL . 39.6 mt -58.87 -42.06 84.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.133 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 20.2 ttt-85 -64.73 -29.03 70.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.898 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 -77.04 -22.1 53.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 94.94 20.18 29.14 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.501 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 108' ' ' ASN . . . . . 0.838 ' O ' HD12 ' A' ' 112' ' ' ILE . 14.9 t-20 -67.17 108.26 2.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.873 0.368 . . . . 0.0 110.892 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.586 HD11 ' HB2' ' A' ' 20' ' ' LYS . 9.7 tp -47.31 -57.48 5.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.894 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 110' ' ' LYS . . . . . 0.713 ' HE2' HD11 ' A' ' 16' ' ' LEU . 21.3 mmtt -45.38 -28.54 0.88 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.879 179.859 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -82.22 -61.55 1.87 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.109 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.838 HD12 ' O ' ' A' ' 108' ' ' ASN . 5.1 mp -49.71 -54.36 7.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.124 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.42 ' O ' ' CB ' ' A' ' 117' ' ' PHE . 71.4 mt -46.86 -39.58 12.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -62.39 -38.61 96.56 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.472 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.996 HD23 ' N ' ' A' ' 116' ' ' PHE . 0.2 OUTLIER -67.4 -58.96 3.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.859 0.361 . . . . 0.0 110.937 -179.899 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.996 ' N ' HD23 ' A' ' 115' ' ' LEU . 10.6 m-85 -65.43 -16.83 64.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 117' ' ' PHE . . . . . 0.42 ' CB ' ' O ' ' A' ' 113' ' ' LEU . 1.8 t80 -72.72 -35.73 67.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.89 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 41.5 p -94.38 -47.14 6.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.863 -179.804 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 9.2 tp -46.2 -49.71 16.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.925 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 9.1 t -53.95 -44.68 70.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 46.4 mtp85 -55.45 -50.2 70.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.857 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 122' ' ' TYR . . . . . 0.444 ' CB ' HD11 ' A' ' 94' ' ' ILE . 3.2 t80 -42.26 -36.55 1.26 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.907 -179.866 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 123' ' ' LYS . . . . . 0.433 ' O ' ' C ' ' A' ' 124' ' ' GLN . 19.1 tptt -85.29 -50.8 7.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.939 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 124' ' ' GLN . . . . . 0.433 ' C ' ' O ' ' A' ' 123' ' ' LYS . 32.9 mm-40 . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.885 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.439 ' O ' ' C ' ' A' ' 16' ' ' LEU . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.443 -0.263 . . . . 0.0 112.443 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.439 ' C ' ' O ' ' A' ' 15' ' ' GLY . 53.6 mt -35.4 -59.0 0.56 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.817 0.342 . . . . 0.0 110.931 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -53.2 -46.35 68.99 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.903 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -59.68 -41.72 91.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.857 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.64 ' HA ' HD12 ' A' ' 22' ' ' ILE . 86.0 mt-30 -52.63 -51.85 58.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.926 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.414 ' N ' HD21 ' A' ' 113' ' ' LEU . 41.1 tttt -38.36 -55.27 1.38 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.941 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.4 tpp180 -54.05 -52.07 62.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.87 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.64 HD12 ' HA ' ' A' ' 19' ' ' GLN . 85.0 mt -45.15 -44.47 3.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.074 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 31.2 m-85 -71.92 -50.65 27.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.937 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.428 ' O ' ' ND2' ' A' ' 28' ' ' ASN . 98.0 m -40.71 -52.22 2.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.176 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -61.59 -39.93 92.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.858 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 75.1 t90 -60.08 -47.69 84.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.931 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.572 ' HB1' HG12 ' A' ' 56' ' ' ILE . . . -70.73 -41.13 72.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.076 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.428 ' ND2' ' O ' ' A' ' 24' ' ' THR . 1.8 m-80 -48.19 -52.69 19.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 8.0 t60 -43.08 -52.5 5.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.882 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 91.1 m-85 -60.74 -30.2 69.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.945 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.579 HD11 HD21 ' A' ' 52' ' ' LEU . 10.9 mt -74.92 -41.29 59.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.906 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -70.56 -45.58 65.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.095 179.789 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 4.3 ptmm? -59.88 -34.68 73.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.929 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.3 t -88.86 31.57 0.85 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.832 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 47.18 70.66 0.66 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.507 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.47 ' CB ' ' O ' ' A' ' 31' ' ' LEU . 3.9 t-80 -131.11 95.72 3.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.872 0.368 . . . . 0.0 110.868 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 45.1 mttp -48.9 -54.14 16.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.932 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.478 ' HG2' ' N ' ' A' ' 39' ' ' LEU . 23.5 ttm180 -64.92 148.66 51.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.867 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.478 ' N ' ' HG2' ' A' ' 38' ' ' ARG . 83.0 mt -129.36 -175.16 3.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.917 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.771 HG23 ' CG ' ' A' ' 46' ' ' ASP . 97.3 mt -98.99 113.22 33.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.148 179.833 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 28.0 mtp180 -88.14 -60.56 1.93 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.846 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.45 ' N ' ' OD1' ' A' ' 46' ' ' ASP . 28.5 m-20 -115.15 98.45 6.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.921 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.592 HD11 ' CE2' ' A' ' 116' ' ' PHE . 12.0 tp -46.91 -33.4 4.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.602 ' CD ' HD13 ' A' ' 109' ' ' LEU . 6.4 mt-30 -70.02 -41.3 74.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.89 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 18.6 mt-30 -100.38 14.1 32.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.771 ' CG ' HG23 ' A' ' 40' ' ' ILE . 0.9 OUTLIER -102.74 -35.98 8.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 179.947 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.413 ' O ' HG22 ' A' ' 104' ' ' ILE . 23.0 m -102.91 34.91 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.092 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 34.9 p -84.48 -36.84 21.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.12 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.474 ' O ' ' CB ' ' A' ' 81' ' ' ASN . 0.4 OUTLIER -97.37 -20.37 17.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.851 179.88 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 89.04 -28.99 6.19 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.482 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 84.8 t -46.76 -64.59 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.829 0.347 . . . . 0.0 111.119 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.579 HD21 HD11 ' A' ' 31' ' ' LEU . 2.4 tt -57.14 -39.03 74.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.783 HD11 HD11 ' A' ' 57' ' ' ILE . 5.4 tp -53.92 -54.95 31.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -54.29 -44.9 72.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.084 179.802 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 72.1 mt-30 -39.39 -37.0 0.41 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.909 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.572 HG12 ' HB1' ' A' ' 27' ' ' ALA . 5.1 mp -85.01 -47.21 17.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.13 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.783 HD11 HD11 ' A' ' 53' ' ' LEU . 62.0 mt -53.99 -58.92 2.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.143 179.808 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -47.99 -31.35 5.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.906 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 41.5 t -78.58 -67.39 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.076 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.471 HG12 ' O ' ' A' ' 56' ' ' ILE . 7.1 p -53.51 -23.26 7.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.199 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -99.94 -12.53 19.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.141 179.831 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 9.5 m-80 56.09 41.51 29.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.912 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -145.4 162.37 37.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.1 tppt? -111.75 136.14 51.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.858 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.463 ' HB ' ' CG1' ' A' ' 68' ' ' ILE . 18.8 mt -99.2 110.75 27.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.134 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -74.77 -28.5 60.77 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.888 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.415 ' O ' ' HB2' ' A' ' 84' ' ' ALA . 1.7 m-20 -79.49 43.57 0.56 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.878 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.463 ' CG1' ' HB ' ' A' ' 65' ' ' ILE . 36.5 mm -116.44 134.17 60.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.114 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 11.7 t-20 -123.44 100.31 6.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -80.76 37.44 2.3 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.494 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 3.3 t -134.94 57.39 21.15 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.585 0.707 . . . . 0.0 110.884 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.85 80.13 0.93 Allowed 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.676 2.251 . . . . 0.0 112.263 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 8.2 mmtp -87.82 -47.3 8.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.952 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -99.51 149.23 23.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 9.8 ptt-85 -47.49 -25.79 1.2 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.87 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.451 ' O ' ' N ' ' A' ' 79' ' ' ILE . 4.5 m -80.6 -48.66 12.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.89 -179.784 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.433 ' C ' ' O ' ' A' ' 76' ' ' SER . 10.5 mm100 -35.53 -55.03 0.68 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.919 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 17.1 mtt -50.6 -43.74 56.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.875 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.451 ' N ' ' O ' ' A' ' 76' ' ' SER . 48.4 mm -41.58 -64.2 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.155 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.428 ' O ' ' C ' ' A' ' 81' ' ' ASN . 8.4 mp0 -42.3 -61.02 1.28 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.474 ' CB ' ' O ' ' A' ' 49' ' ' ASP . 54.4 m-20 -35.83 -64.4 0.31 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.883 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 22.7 mt -58.83 -40.71 80.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.116 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -52.62 -55.25 23.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.854 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.415 ' HB2' ' O ' ' A' ' 67' ' ' ASP . . . -47.55 -42.34 23.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.076 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 60.9 m -63.39 -49.06 75.27 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.907 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 61.6 mt -55.12 -48.49 73.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.941 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 66.9 m-80 -69.15 -42.16 76.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.42 ' CD1' ' C ' ' A' ' 88' ' ' PHE . 1.9 t80 -58.62 -48.07 82.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.426 HD22 ' CD1' ' A' ' 94' ' ' ILE . 95.9 mt -59.16 -49.55 77.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.933 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -47.31 -41.99 20.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.124 179.801 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -63.75 -36.25 83.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.126 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 52.8 mmtt -69.81 -28.5 65.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 123.15 39.67 0.51 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.509 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.486 HD11 ' HB2' ' A' ' 122' ' ' TYR . 73.8 mt . . . . . 0 C--N 1.329 -0.295 0 CA-C-O 120.796 0.332 . . . . 0.0 111.153 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 90.4 mt -62.87 176.84 0.63 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.783 0.325 . . . . 0.0 110.918 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 16.7 m -150.73 106.57 3.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.843 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -46.12 -43.05 14.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.131 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -60.07 -55.35 35.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.877 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -50.77 -40.83 55.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.873 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.413 HG22 ' O ' ' A' ' 47' ' ' VAL . 82.6 mt -65.89 -41.08 89.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.164 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 12.2 ttt-85 -62.09 -36.35 81.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.91 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 80.9 m-20 -70.74 -26.49 63.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.922 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 97.25 34.13 5.72 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.441 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 108' ' ' ASN . . . . . 0.781 ' O ' HD12 ' A' ' 112' ' ' ILE . 53.3 t30 -78.6 108.33 11.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.866 0.365 . . . . 0.0 110.89 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.602 HD13 ' CD ' ' A' ' 44' ' ' GLN . 9.4 tp -40.8 -52.69 2.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.935 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 14.5 mmtm -47.39 -42.24 21.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.879 179.814 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -70.47 -61.73 1.66 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.113 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.781 HD12 ' O ' ' A' ' 108' ' ' ASN . 5.3 mp -48.58 -63.65 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.175 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.473 ' CD1' ' HG ' ' A' ' 109' ' ' LEU . 67.9 mt -41.19 -41.5 1.83 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.943 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -63.05 -52.01 51.02 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.492 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.716 HD23 ' N ' ' A' ' 116' ' ' PHE . 0.1 OUTLIER -50.78 -51.88 46.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.913 0.387 . . . . 0.0 110.921 -179.953 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.716 ' N ' HD23 ' A' ' 115' ' ' LEU . 9.2 m-85 -73.15 -32.34 64.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.918 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 117' ' ' PHE . . . . . 0.482 ' CD1' ' C ' ' A' ' 117' ' ' PHE . 3.3 t80 -61.26 -33.76 74.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.888 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 25.5 m -94.64 -50.89 4.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.796 -179.731 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.4 ' O ' ' HB3' ' A' ' 122' ' ' TYR . 13.5 tp -41.35 -58.32 1.89 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.943 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 43.6 t -40.41 -48.28 2.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.846 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 55.5 mtp180 -40.87 -46.62 2.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.853 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 122' ' ' TYR . . . . . 0.486 ' HB2' HD11 ' A' ' 94' ' ' ILE . 23.4 t80 -43.62 -48.74 7.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.904 -179.85 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 123' ' ' LYS . . . . . 0.434 ' O ' ' C ' ' A' ' 124' ' ' GLN . 14.1 tptp -83.82 -53.03 5.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.893 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 124' ' ' GLN . . . . . 0.434 ' C ' ' O ' ' A' ' 123' ' ' LYS . 18.5 mm100 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.909 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.435 ' O ' ' C ' ' A' ' 16' ' ' LEU . . . . . . . . 0 N--CA 1.452 -0.285 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.464 HD11 ' NZ ' ' A' ' 110' ' ' LYS . 55.3 mt -35.57 -56.81 0.65 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.788 0.328 . . . . 0.0 110.899 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -55.36 -45.15 76.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -58.14 -36.92 73.67 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.866 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.574 ' HA ' HD12 ' A' ' 22' ' ' ILE . 62.8 mt-30 -59.93 -46.0 90.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.92 -179.887 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.674 ' HB2' HD11 ' A' ' 109' ' ' LEU . 42.6 tttt -42.55 -45.35 4.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.923 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 24.7 ttp180 -66.33 -54.42 24.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.893 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.574 HD12 ' HA ' ' A' ' 19' ' ' GLN . 95.2 mt -39.05 -52.91 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.097 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.45 ' CD1' ' HB3' ' A' ' 116' ' ' PHE . 38.4 m-85 -64.06 -49.34 72.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.912 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 98.5 m -43.31 -60.86 1.53 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.118 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.406 ' C ' ' OD1' ' A' ' 25' ' ' ASP . 20.2 t0 -52.9 -45.84 67.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.823 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 68.1 t90 -53.17 -51.36 62.3 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.874 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.637 ' HB1' HG12 ' A' ' 56' ' ' ILE . . . -64.02 -45.21 89.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.062 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.938 ' OD1' HD22 ' A' ' 39' ' ' LEU . 2.1 m-80 -42.92 -54.26 4.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.866 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' HIS . . . . . 0.427 ' CE1' ' HD3' ' A' ' 33' ' ' LYS . 0.1 OUTLIER -41.58 -52.08 3.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.832 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.735 ' CE2' HG23 ' A' ' 60' ' ' VAL . 97.5 m-85 -57.81 -32.58 67.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 -179.829 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.628 HD11 HD21 ' A' ' 52' ' ' LEU . 18.0 mt -75.77 -54.16 7.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.956 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.19 -37.73 78.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.089 179.781 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.427 ' HD3' ' CE1' ' A' ' 29' ' ' HIS . 27.6 pttt -71.05 -31.26 67.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.907 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 4.6 t -85.85 -2.13 57.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.892 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 83.78 69.11 1.39 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.502 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 9.9 m80 -128.13 137.91 52.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.874 0.368 . . . . 0.0 110.824 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 27.1 mtpp -93.99 -26.75 16.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 15.0 ttm180 -94.35 117.25 29.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.833 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.938 HD22 ' OD1' ' A' ' 28' ' ' ASN . 62.0 mt -93.39 176.51 6.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.891 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.801 HG23 ' CB ' ' A' ' 46' ' ' ASP . 83.7 mt -92.77 95.46 5.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.122 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 76.4 mtm180 -69.29 -61.97 1.57 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.869 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.463 ' O ' ' N ' ' A' ' 45' ' ' GLN . 0.5 OUTLIER -114.99 99.74 7.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.844 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.493 HD11 ' CE2' ' A' ' 116' ' ' PHE . 15.8 tp -33.75 -59.44 0.4 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.925 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 1.011 ' O ' HG23 ' A' ' 48' ' ' THR . 7.3 mt-30 -48.01 -44.35 30.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.923 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.463 ' N ' ' O ' ' A' ' 42' ' ' ASP . 11.9 mm100 -77.52 -20.43 54.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.939 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.801 ' CB ' HG23 ' A' ' 40' ' ' ILE . 0.2 OUTLIER -81.65 -6.17 58.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.823 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 26.0 m -124.33 -22.26 2.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.135 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' THR . . . . . 1.011 HG23 ' O ' ' A' ' 44' ' ' GLN . 15.0 p -48.34 -44.86 34.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.146 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -81.6 -29.97 33.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.898 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 87.36 -27.82 6.07 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.487 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 60.1 t -56.55 -65.63 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.845 0.355 . . . . 0.0 111.145 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.628 HD21 HD11 ' A' ' 31' ' ' LEU . 1.5 tt -57.63 -35.8 70.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.92 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.593 ' O ' HD12 ' A' ' 53' ' ' LEU . 1.2 tp -56.82 -53.74 54.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.91 179.866 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -58.89 -43.01 90.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.133 179.776 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.642 ' O ' HG23 ' A' ' 59' ' ' VAL . 42.2 mt-30 -40.15 -37.15 0.58 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.891 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.637 HG12 ' HB1' ' A' ' 27' ' ' ALA . 3.2 mp -80.09 -52.98 13.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.183 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.619 ' CG2' ' CE1' ' A' ' 88' ' ' PHE . 55.8 mt -47.71 -49.0 10.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.109 179.813 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -56.56 -38.24 71.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.905 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.642 HG23 ' O ' ' A' ' 55' ' ' GLN . 58.0 t -73.34 -67.26 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.122 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.735 HG23 ' CE2' ' A' ' 30' ' ' TYR . 14.7 p -52.09 -30.37 12.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.102 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.532 ' HB3' ' O ' ' A' ' 57' ' ' ILE . . . -92.97 -16.64 24.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.085 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 59.4 m-20 61.41 39.53 15.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.881 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -141.85 164.36 30.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.927 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 6.6 ptmt -112.98 137.99 50.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.872 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.454 ' HB ' ' CG1' ' A' ' 68' ' ' ILE . 12.8 mt -107.36 108.93 26.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.131 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -74.33 -16.52 60.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.894 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.422 ' HB3' ' HB2' ' A' ' 84' ' ' ALA . 8.5 m-20 -87.0 34.75 0.68 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.867 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.454 ' CG1' ' HB ' ' A' ' 65' ' ' ILE . 31.1 mm -115.92 146.66 20.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.095 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.447 ' O ' ' C ' ' A' ' 70' ' ' GLY . 19.5 t30 -107.26 107.08 17.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.915 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' GLY . . . . . 0.447 ' C ' ' O ' ' A' ' 69' ' ' ASN . . . -34.26 -58.39 0.67 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.484 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 43.3 t -139.72 118.19 8.72 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.589 0.709 . . . . 0.0 110.876 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 127.46 14.63 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.667 2.245 . . . . 0.0 112.312 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 35.9 mttt -103.66 -35.26 8.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -102.22 155.97 17.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.849 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.405 ' C ' ' HD3' ' A' ' 75' ' ' ARG . 0.2 OUTLIER -58.97 -28.19 66.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.873 -179.949 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.497 ' O ' ' N ' ' A' ' 78' ' ' MET . 4.0 m -88.75 -40.92 12.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.818 -179.754 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 11.9 mm-40 -37.77 -27.75 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.907 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' MET . . . . . 0.497 ' N ' ' O ' ' A' ' 76' ' ' SER . 9.5 mtt -70.04 -46.62 64.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.857 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.461 ' N ' ' O ' ' A' ' 76' ' ' SER . 26.0 mm -41.33 -53.71 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.132 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -49.46 -45.5 46.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.871 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -50.09 -65.88 0.49 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.919 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 33.4 mt -57.42 -43.81 83.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.105 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -51.58 -55.69 17.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.862 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.422 ' HB2' ' HB3' ' A' ' 67' ' ' ASP . . . -48.71 -44.74 38.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.105 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' CYS . . . . . 0.435 ' HB3' ' CD1' ' A' ' 57' ' ' ILE . 60.2 m -61.06 -49.11 78.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.876 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 41.9 mt -56.01 -49.69 72.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.92 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 69.2 m-80 -67.35 -36.35 81.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.923 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.619 ' CE1' ' CG2' ' A' ' 57' ' ' ILE . 0.4 OUTLIER -64.01 -39.21 93.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 88.2 mt -67.29 -43.84 80.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.948 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -57.04 -38.7 73.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.12 179.773 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -65.77 -32.48 74.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.11 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 61.5 mmtt -73.09 -23.43 60.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 117.1 39.24 0.82 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.506 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.631 HD11 ' HB2' ' A' ' 122' ' ' TYR . 71.3 mt . . . . . 0 C--N 1.328 -0.333 0 CA-C-O 120.858 0.361 . . . . 0.0 111.165 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 72.4 mt -68.49 172.04 6.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.811 0.338 . . . . 0.0 110.908 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 5.9 m -149.87 111.13 4.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -46.5 -40.18 12.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.106 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -63.14 -53.91 46.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.856 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 53.9 mm-40 -50.7 -43.82 57.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 66.0 mt -60.36 -44.84 96.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.112 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.465 ' O ' HG22 ' A' ' 48' ' ' THR . 0.8 OUTLIER -53.51 -42.12 67.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.882 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 16.1 m-80 -64.48 -29.09 70.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.866 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 99.13 26.13 9.06 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.524 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 108' ' ' ASN . . . . . 0.745 ' O ' HD12 ' A' ' 112' ' ' ILE . 14.2 t30 -70.33 99.48 1.56 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.853 0.359 . . . . 0.0 110.882 -179.876 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.674 HD11 ' HB2' ' A' ' 20' ' ' LYS . 9.4 tp -36.02 -60.36 0.55 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.895 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 110' ' ' LYS . . . . . 0.464 ' NZ ' HD11 ' A' ' 16' ' ' LEU . 12.8 mmtm -39.85 -46.92 2.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 179.852 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -64.63 -63.56 1.09 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.08 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.745 HD12 ' O ' ' A' ' 108' ' ' ASN . 5.4 mp -48.41 -65.33 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.132 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.483 HD11 ' HG ' ' A' ' 109' ' ' LEU . 96.5 mt -35.78 -39.77 0.16 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -61.43 -51.53 57.28 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.485 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.987 HD23 ' N ' ' A' ' 116' ' ' PHE . 0.2 OUTLIER -50.77 -59.71 3.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.852 0.358 . . . . 0.0 110.927 -179.91 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.987 ' N ' HD23 ' A' ' 115' ' ' LEU . 11.0 m-85 -63.72 -32.78 74.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.886 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 21.8 t80 -57.66 -36.91 72.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.885 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 4.0 m -92.54 -52.0 4.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.864 -179.785 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 6.7 tp -41.71 -50.8 4.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.934 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 34.6 p -49.37 -44.08 44.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.863 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 66.3 mtp180 -48.38 -52.09 23.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.9 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 122' ' ' TYR . . . . . 0.631 ' HB2' HD11 ' A' ' 94' ' ' ILE . 25.8 t80 -40.2 -55.42 2.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.953 -179.867 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 123' ' ' LYS . . . . . 0.407 ' O ' ' C ' ' A' ' 124' ' ' GLN . 23.8 tptt -70.3 -49.04 53.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.9 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 124' ' ' GLN . . . . . 0.407 ' C ' ' O ' ' A' ' 123' ' ' LYS . 74.2 mt-30 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.905 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.482 ' N ' ' HB2' ' A' ' 18' ' ' ASP . . . . . . . . 0 N--CA 1.451 -0.342 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.692 HD11 ' NZ ' ' A' ' 110' ' ' LYS . 17.4 mt -42.27 -51.32 4.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.762 0.315 . . . . 0.0 110.922 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -65.94 -40.7 91.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.918 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.482 ' HB2' ' N ' ' A' ' 15' ' ' GLY . 24.0 m-20 -60.22 -39.1 85.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.876 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 -58.7 -40.84 84.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.895 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.56 ' HB2' HD11 ' A' ' 109' ' ' LEU . 47.2 tttt -48.87 -33.43 10.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.906 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.459 ' CZ ' ' HB2' ' A' ' 21' ' ' ARG . 0.4 OUTLIER -75.63 -47.56 25.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.854 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 94.1 mt -48.4 -51.04 11.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.119 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.579 ' CD1' ' HB3' ' A' ' 116' ' ' PHE . 34.6 m-85 -68.34 -47.52 67.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.948 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.468 ' O ' ' ND2' ' A' ' 28' ' ' ASN . 26.3 m -43.77 -51.57 7.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.104 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -66.74 -39.56 87.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.895 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 66.0 t90 -53.82 -49.53 68.17 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.852 ' HB1' HG12 ' A' ' 56' ' ' ILE . . . -69.35 -39.19 78.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.114 179.872 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.931 ' OD1' HD22 ' A' ' 39' ' ' LEU . 1.8 m-80 -48.85 -33.22 10.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.903 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 17.2 t60 -63.75 -45.06 91.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.845 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.427 ' HA ' ' CD ' ' A' ' 33' ' ' LYS . 92.8 m-85 -69.5 -16.1 63.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.931 -179.882 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 34.5 mt -89.81 -51.36 5.54 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.901 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.73 -23.55 67.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.143 179.735 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.427 ' CD ' ' HA ' ' A' ' 30' ' ' TYR . 9.9 ptmm? -78.44 -35.92 46.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.864 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.7 m -82.9 2.07 36.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.865 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 80.94 66.21 1.64 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.493 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 10.3 m80 -119.37 141.22 49.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.869 0.366 . . . . 0.0 110.852 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 43.3 mttm -95.24 -25.19 16.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.869 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.431 ' NH1' ' HB3' ' A' ' 38' ' ' ARG . 17.2 ttm105 -95.78 140.94 29.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.866 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.931 HD22 ' OD1' ' A' ' 28' ' ' ASN . 28.4 mt -115.23 -179.84 3.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.943 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.846 HG23 ' CG ' ' A' ' 46' ' ' ASP . 62.2 mt -99.34 115.14 39.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.159 179.821 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 8.3 mmp_? -95.3 -56.42 2.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.858 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.495 ' N ' ' OD2' ' A' ' 46' ' ' ASP . 0.5 OUTLIER -111.65 98.87 7.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.857 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.583 HD11 ' CE2' ' A' ' 116' ' ' PHE . 13.0 tp -51.76 -27.28 11.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -74.45 -40.46 61.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.934 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 17.9 mt-30 -100.86 7.32 43.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.942 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.846 ' CG ' HG23 ' A' ' 40' ' ' ILE . 2.1 m-20 -97.54 -3.4 39.82 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.67 HG12 ' HB2' ' A' ' 53' ' ' LEU . 35.1 m -130.43 0.73 2.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.15 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.579 HG22 ' O ' ' A' ' 105' ' ' ARG . 1.1 p -58.32 -40.82 83.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.106 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.87 ' OD1' HG23 ' A' ' 51' ' ' VAL . 15.6 t0 -85.09 -29.1 25.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.885 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 86.62 -11.0 65.2 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.499 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.87 HG23 ' OD1' ' A' ' 49' ' ' ASP . 54.5 t -69.14 -67.54 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.857 0.361 . . . . 0.0 111.148 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.612 HD23 ' O ' ' A' ' 52' ' ' LEU . 1.7 tt -55.99 -29.03 59.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.954 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.67 ' HB2' HG12 ' A' ' 47' ' ' VAL . 1.1 tp -64.79 -61.99 1.85 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.931 179.85 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -50.16 -38.1 37.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.077 179.786 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.672 ' O ' HG23 ' A' ' 59' ' ' VAL . 28.9 mt-30 -43.17 -36.03 1.58 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.884 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.852 HG12 ' HB1' ' A' ' 27' ' ' ALA . 4.5 mp -81.76 -53.53 11.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.123 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 30.6 mt -46.87 -58.4 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.092 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.405 ' CB ' ' O ' ' A' ' 63' ' ' GLU . 33.0 mt-30 -48.08 -24.87 1.22 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.898 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.672 HG23 ' O ' ' A' ' 55' ' ' GLN . 42.1 t -85.9 -65.0 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.152 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 6.8 p -54.95 -19.36 4.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.125 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.604 ' HB1' ' HE3' ' A' ' 92' ' ' LYS . . . -111.43 -3.82 15.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.08 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 45.4 t30 47.6 44.89 17.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.882 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.405 ' O ' ' CB ' ' A' ' 58' ' ' GLN . 5.0 tp10 -140.53 168.58 19.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.876 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 9.4 ttmm -118.65 139.34 51.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.906 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.469 ' CG2' HG12 ' A' ' 68' ' ' ILE . 32.9 mt -102.8 96.44 4.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.103 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -70.33 -7.25 41.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.87 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.438 ' O ' ' HB2' ' A' ' 84' ' ' ALA . 0.9 OUTLIER -95.21 30.33 2.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.875 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.469 HG12 ' CG2' ' A' ' 65' ' ' ILE . 30.8 mm -111.73 136.18 48.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.155 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 41.6 t30 -73.25 -72.74 0.24 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 121.48 -50.93 0.81 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.499 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 17.8 m -132.32 78.59 67.88 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.601 0.715 . . . . 0.0 110.859 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.454 ' CG ' ' OD2' ' A' ' 49' ' ' ASP . 54.2 Cg_endo -69.76 132.31 23.07 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.653 2.236 . . . . 0.0 112.367 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.409 ' C ' ' HD3' ' A' ' 73' ' ' LYS . 0.0 OUTLIER -121.62 -35.58 3.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.877 179.933 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.415 ' HB3' ' CG ' ' A' ' 77' ' ' GLN . 27.7 t-20 -78.98 167.07 21.63 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.891 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 13.4 tpp180 -68.27 -45.73 72.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.893 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.403 ' O ' ' N ' ' A' ' 79' ' ' ILE . 5.6 m -79.6 -33.3 41.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.897 -179.84 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.415 ' CG ' ' HB3' ' A' ' 74' ' ' ASN . 26.7 mm-40 -38.01 -46.47 1.0 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.945 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 12.6 mtt -59.82 -45.3 92.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.869 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.403 ' N ' ' O ' ' A' ' 76' ' ' SER . 37.2 mm -42.52 -55.65 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.113 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 33.4 mm-40 -49.96 -55.86 12.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -38.29 -67.05 0.22 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.898 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 20.4 mt -57.17 -37.68 57.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.115 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -54.95 -49.94 70.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.861 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.438 ' HB2' ' O ' ' A' ' 67' ' ' ASP . . . -52.09 -39.11 59.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.064 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 59.3 m -67.5 -45.24 76.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.86 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 56.4 mt -60.5 -48.13 83.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.927 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 70.2 m-80 -65.91 -34.49 78.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.854 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.469 ' CZ ' ' HE2' ' A' ' 92' ' ' LYS . 3.2 t80 -65.97 -51.7 56.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.875 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 93.6 mt -53.61 -38.49 64.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.907 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -61.92 -35.15 77.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.133 179.764 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -68.68 -32.5 72.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.101 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.604 ' HE3' ' HB1' ' A' ' 61' ' ' ALA . 42.5 mmtt -70.51 -24.28 62.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.878 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 117.9 37.05 0.91 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.504 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.793 HD11 ' HB2' ' A' ' 122' ' ' TYR . 66.1 mt . . . . . 0 C--N 1.329 -0.292 0 CA-C-O 120.786 0.327 . . . . 0.0 111.17 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 26.8 mt -63.89 179.26 0.53 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.859 0.362 . . . . 0.0 110.93 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 10.5 m -158.22 108.47 2.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -43.56 -42.83 5.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.111 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -57.82 -51.29 70.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.94 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -55.92 -48.22 76.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.89 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 47.5 mt -58.84 -43.83 89.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.142 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.579 ' O ' HG22 ' A' ' 48' ' ' THR . 5.8 ttt-85 -61.66 -30.07 70.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.874 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -72.98 -26.96 61.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.901 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 97.16 31.34 6.94 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.495 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 108' ' ' ASN . . . . . 0.545 ' O ' HD12 ' A' ' 112' ' ' ILE . 51.4 t-20 -81.6 114.64 20.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.869 0.366 . . . . 0.0 110.884 -179.878 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.56 HD11 ' HB2' ' A' ' 20' ' ' LYS . 8.9 tp -50.83 -39.8 54.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.937 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 110' ' ' LYS . . . . . 0.692 ' NZ ' HD11 ' A' ' 16' ' ' LEU . 15.9 mmtm -59.1 -26.12 64.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.866 179.838 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -86.83 -60.63 1.93 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.066 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.6 ' H ' HD12 ' A' ' 112' ' ' ILE . 4.5 mp -50.89 -55.13 7.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.122 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.474 ' CD1' ' HG ' ' A' ' 109' ' ' LEU . 71.8 mt -47.55 -42.38 23.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.947 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -60.6 -41.5 98.85 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.484 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.967 HD23 ' N ' ' A' ' 116' ' ' PHE . 0.1 OUTLIER -62.43 -57.17 12.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.863 0.363 . . . . 0.0 110.902 -179.947 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.967 ' N ' HD23 ' A' ' 115' ' ' LEU . 10.9 m-85 -66.3 -17.28 64.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.869 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 117' ' ' PHE . . . . . 0.482 ' CD1' ' C ' ' A' ' 117' ' ' PHE . 3.6 t80 -75.82 -36.96 59.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.877 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 16.4 m -92.76 -39.48 11.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.829 -179.777 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.536 ' O ' HD12 ' A' ' 119' ' ' LEU . 2.0 tp -54.03 -55.28 28.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.919 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.4 t -46.49 -44.48 17.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.856 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 33.5 mtp85 -46.85 -51.07 17.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.905 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 122' ' ' TYR . . . . . 0.793 ' HB2' HD11 ' A' ' 94' ' ' ILE . 12.3 t80 -39.54 -54.55 1.96 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 -179.828 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 123' ' ' LYS . . . . . 0.44 ' O ' ' C ' ' A' ' 124' ' ' GLN . 13.5 tptp -75.49 -54.59 6.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.874 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 124' ' ' GLN . . . . . 0.44 ' C ' ' O ' ' A' ' 123' ' ' LYS . 51.1 mm-40 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.941 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.421 ' O ' ' C ' ' A' ' 16' ' ' LEU . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.47 ' O ' HD11 ' A' ' 113' ' ' LEU . 23.5 mt -35.98 -59.29 0.61 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.768 0.318 . . . . 0.0 110.908 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.422 ' HA ' HD21 ' A' ' 109' ' ' LEU . 2.0 pm0 -61.1 -38.71 87.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.922 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.407 ' N ' ' O ' ' A' ' 15' ' ' GLY . 70.0 m-20 -65.8 -25.57 67.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.85 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 22.6 mt-30 -69.31 -40.57 77.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.912 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 17.0 ttmt -46.39 -56.35 6.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.917 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 13.6 ttm180 -54.87 -52.71 61.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.845 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 74.1 mt -44.86 -48.47 2.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.125 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.537 ' CG ' ' HB3' ' A' ' 116' ' ' PHE . 25.3 m-85 -68.88 -45.47 70.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.923 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.455 ' CG2' ' O ' ' A' ' 40' ' ' ILE . 66.8 m -46.65 -56.53 5.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.137 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -59.03 -38.52 79.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.877 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' TRP . . . . . 0.405 ' CZ2' ' HA ' ' A' ' 120' ' ' SER . 72.9 t90 -58.05 -53.15 61.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.902 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.59 ' HB2' ' HE1' ' A' ' 116' ' ' PHE . . . -67.53 -37.62 83.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.139 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.487 HD21 HD13 ' A' ' 39' ' ' LEU . 3.9 m-20 -46.71 -41.08 14.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' HIS . . . . . 0.42 ' CE1' ' HB3' ' A' ' 33' ' ' LYS . 0.4 OUTLIER -57.18 -64.53 0.85 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.828 179.965 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 95.0 m-85 -45.31 -33.42 2.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.95 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.541 HD11 HD11 ' A' ' 56' ' ' ILE . 15.8 mt -72.48 -47.51 48.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.943 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -65.8 -53.44 40.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.072 179.803 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.422 ' HE3' ' CG1' ' A' ' 59' ' ' VAL . 10.1 pttp -52.47 -33.47 44.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.431 ' O ' ' C ' ' A' ' 35' ' ' GLY . 4.5 t -92.83 31.68 1.36 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.864 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.431 ' C ' ' O ' ' A' ' 34' ' ' SER . . . 35.6 60.45 0.78 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.496 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.628 ' CE1' ' HB3' ' A' ' 38' ' ' ARG . 10.6 t-160 -90.42 -18.22 25.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.851 0.358 . . . . 0.0 110.85 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 33.0 mmtt 54.64 39.42 31.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.628 ' HB3' ' CE1' ' A' ' 36' ' ' HIS . 11.0 ttt85 -170.03 153.85 4.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.898 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.487 HD13 HD21 ' A' ' 28' ' ' ASN . 61.9 mt -130.8 170.06 14.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.899 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.659 HG23 ' HB2' ' A' ' 46' ' ' ASP . 66.6 mt -95.61 109.55 22.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.157 179.864 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 7.4 ttm180 -77.72 -61.08 2.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.878 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.429 ' OD1' ' N ' ' A' ' 42' ' ' ASP . 0.3 OUTLIER -114.88 113.5 24.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.91 179.935 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.943 HD11 ' CE2' ' A' ' 116' ' ' PHE . 11.1 tp -60.14 -36.93 78.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 64.1 mt-30 -70.58 -15.62 62.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.918 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.469 ' HA ' HG23 ' A' ' 48' ' ' THR . 4.2 mm100 -116.18 -6.21 11.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.659 ' HB2' HG23 ' A' ' 40' ' ' ILE . 0.4 OUTLIER -84.37 -34.82 23.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.828 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.677 HG12 ' HB2' ' A' ' 53' ' ' LEU . 26.6 m -103.47 33.33 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.125 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.469 HG23 ' HA ' ' A' ' 45' ' ' GLN . 18.0 p -86.03 -35.09 20.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.143 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -104.22 -14.56 15.79 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.853 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 79.53 -14.38 17.78 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.513 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 98.2 t -61.44 -70.37 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.865 0.364 . . . . 0.0 111.074 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.489 HD23 ' O ' ' A' ' 52' ' ' LEU . 2.4 tt -54.88 -36.41 65.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.677 ' HB2' HG12 ' A' ' 47' ' ' VAL . 2.1 tp -55.79 -55.84 27.66 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.89 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.416 ' O ' ' C ' ' A' ' 55' ' ' GLN . . . -54.68 -47.26 73.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.075 179.829 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.465 ' O ' HG23 ' A' ' 59' ' ' VAL . 59.6 mt-30 -36.38 -37.77 0.13 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.973 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.558 HG12 ' HB1' ' A' ' 27' ' ' ALA . 3.3 mp -80.52 -56.98 5.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.133 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.594 HD11 HD11 ' A' ' 53' ' ' LEU . 41.4 mt -43.34 -55.41 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.125 179.85 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -52.3 -30.95 30.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.912 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.465 HG23 ' O ' ' A' ' 55' ' ' GLN . 71.6 t -81.48 -63.41 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.13 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 7.4 p -55.23 -22.22 10.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.117 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -107.76 -6.06 17.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.074 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 57.7 t30 52.59 31.76 10.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.943 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -125.2 168.43 13.46 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.859 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.448 ' CE ' ' O ' ' A' ' 65' ' ' ILE . 0.0 OUTLIER -123.33 136.13 54.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.845 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.448 ' O ' ' CE ' ' A' ' 64' ' ' LYS . 6.4 mt -104.91 118.54 52.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.147 179.844 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -91.67 -14.49 29.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.92 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -85.0 23.52 1.21 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.846 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 48.2 mm -100.66 121.94 52.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.084 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -49.79 -45.81 50.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.845 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 98.3 -65.86 0.77 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.483 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 5.8 m -126.67 72.32 74.15 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.629 0.728 . . . . 0.0 110.886 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 133.67 26.18 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.701 2.267 . . . . 0.0 112.356 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.421 ' C ' ' HD3' ' A' ' 73' ' ' LYS . 0.0 OUTLIER -129.1 -36.36 1.76 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.902 179.921 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.409 ' CB ' ' HG3' ' A' ' 77' ' ' GLN . 28.8 t30 -66.1 178.78 1.06 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.895 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 8.9 tpp180 -72.5 -47.01 52.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 52.3 p -85.99 -31.06 22.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.862 -179.814 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.409 ' HG3' ' CB ' ' A' ' 74' ' ' ASN . 11.4 mt-30 -43.67 -37.0 2.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.911 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' MET . . . . . 0.445 ' SD ' ' NH1' ' A' ' 105' ' ' ARG . 17.4 mtt -75.04 -38.99 61.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.878 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.478 ' CD1' ' HA ' ' A' ' 102' ' ' GLU . 3.7 mm -55.15 -48.93 75.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.135 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -48.49 -40.94 28.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.891 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -50.24 -69.47 0.11 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.848 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.697 ' H ' HD12 ' A' ' 82' ' ' ILE . 4.8 mp -50.15 -42.37 19.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.151 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -53.88 -50.55 66.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.842 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -55.6 -42.37 74.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.061 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 26.7 m -65.9 -36.77 84.32 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.831 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 92.8 mt -65.67 -43.8 88.22 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.971 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 69.2 m-80 -71.69 -36.67 70.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.917 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.477 ' CD1' ' C ' ' A' ' 88' ' ' PHE . 1.3 t80 -64.27 -42.1 96.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.858 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.496 HD22 HD12 ' A' ' 94' ' ' ILE . 29.0 mt -66.94 -42.16 85.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.95 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -56.93 -27.15 60.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.08 179.805 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -76.0 -30.63 58.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.109 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.472 ' HB3' ' CE2' ' A' ' 122' ' ' TYR . 69.0 mmtt -76.43 -11.79 59.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.913 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 106.62 31.21 4.04 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.452 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.689 HD11 ' CB ' ' A' ' 122' ' ' TYR . 94.4 mt . . . . . 0 C--N 1.329 -0.321 0 CA-C-O 120.861 0.362 . . . . 0.0 111.102 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.418 HD21 ' HA3' ' A' ' 114' ' ' GLY . 56.1 mt -69.3 136.84 52.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.805 0.336 . . . . 0.0 110.962 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 100' ' ' SER . . . . . 0.445 ' CB ' ' HG3' ' A' ' 103' ' ' GLU . 1.1 m -120.74 118.25 29.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.859 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -48.33 -44.95 34.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.081 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.478 ' HA ' ' CD1' ' A' ' 79' ' ' ILE . 12.9 tt0 -58.12 -43.17 87.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.914 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.445 ' HG3' ' CB ' ' A' ' 100' ' ' SER . 12.2 mt-10 -70.44 -37.27 74.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.89 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.435 HG12 ' HB1' ' A' ' 111' ' ' ALA . 18.9 mt -68.5 -42.58 83.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.126 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.445 ' NH1' ' SD ' ' A' ' 78' ' ' MET . 1.0 OUTLIER -61.05 -39.29 89.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.86 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 25.0 m-20 -68.19 -28.48 67.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 106.85 23.53 7.07 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.537 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 108' ' ' ASN . . . . . 0.805 ' O ' HD12 ' A' ' 112' ' ' ILE . 3.9 t-20 -63.93 99.19 0.24 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.864 0.364 . . . . 0.0 110.859 -179.819 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.422 HD21 ' HA ' ' A' ' 17' ' ' GLU . 17.4 tp -39.16 -52.28 1.91 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.883 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 110' ' ' LYS . . . . . 0.418 ' HE3' HD11 ' A' ' 16' ' ' LEU . 19.1 mmtp -47.72 -44.41 27.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.902 179.84 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 111' ' ' ALA . . . . . 0.435 ' HB1' HG12 ' A' ' 104' ' ' ILE . . . -69.26 -62.74 1.26 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.107 179.813 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.805 HD12 ' O ' ' A' ' 108' ' ' ASN . 5.2 mp -43.92 -64.11 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.117 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.47 HD11 ' O ' ' A' ' 16' ' ' LEU . 66.0 mt -41.96 -38.23 1.54 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.895 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 114' ' ' GLY . . . . . 0.418 ' HA3' HD21 ' A' ' 99' ' ' LEU . . . -62.2 -37.54 94.69 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.522 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 1.023 HD23 ' N ' ' A' ' 116' ' ' PHE . 0.2 OUTLIER -66.03 -62.85 1.27 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.891 0.376 . . . . 0.0 110.945 -179.957 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 1.023 ' N ' HD23 ' A' ' 115' ' ' LEU . 18.0 m-85 -62.36 -15.54 49.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -76.59 -41.84 44.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.847 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 49.1 m -88.46 -41.55 12.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.834 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.469 ' HA ' HD13 ' A' ' 94' ' ' ILE . 2.1 tp -48.64 -58.01 5.37 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.95 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 120' ' ' SER . . . . . 0.405 ' HA ' ' CZ2' ' A' ' 26' ' ' TRP . 2.0 m -45.62 -43.63 12.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.819 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 63.0 mtp85 -48.42 -52.5 21.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.838 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 122' ' ' TYR . . . . . 0.689 ' CB ' HD11 ' A' ' 94' ' ' ILE . 3.9 t80 -41.99 -52.94 4.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.913 -179.842 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 123' ' ' LYS . . . . . 0.432 ' O ' ' C ' ' A' ' 124' ' ' GLN . 15.2 tptp -70.19 -53.53 16.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.883 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 124' ' ' GLN . . . . . 0.432 ' C ' ' O ' ' A' ' 123' ' ' LYS . 55.7 mm-40 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.879 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.493 ' O ' ' N ' ' A' ' 18' ' ' ASP . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.455 -0.258 . . . . 0.0 112.455 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.41 ' C ' ' O ' ' A' ' 15' ' ' GLY . 61.3 mt -37.4 -48.17 0.92 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.78 0.324 . . . . 0.0 110.902 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.715 ' OE2' HD22 ' A' ' 109' ' ' LEU . 59.1 mm-40 -65.83 -37.26 85.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.493 ' N ' ' O ' ' A' ' 15' ' ' GLY . 1.3 m-20 -62.12 -38.4 88.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.906 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.453 ' HA ' HD12 ' A' ' 22' ' ' ILE . 75.5 mt-30 -59.08 -51.8 68.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.923 -179.889 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.449 ' C ' ' O ' ' A' ' 19' ' ' GLN . 42.6 tttt -34.13 -49.83 0.37 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.904 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.424 ' O ' ' C ' ' A' ' 22' ' ' ILE . 31.3 ttt180 -57.69 -61.64 2.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.888 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.453 HD12 ' HA ' ' A' ' 19' ' ' GLN . 82.2 mt -36.03 -44.03 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.144 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 27.3 m-85 -75.63 -49.87 17.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.94 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.441 ' O ' ' ND2' ' A' ' 28' ' ' ASN . 98.5 m -40.8 -45.6 2.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.093 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -68.52 -38.09 80.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.869 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' TRP . . . . . 0.469 ' CZ2' ' HA ' ' A' ' 120' ' ' SER . 33.0 t90 -55.35 -57.95 9.75 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.665 ' HB1' HG12 ' A' ' 56' ' ' ILE . . . -60.93 -54.88 39.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.112 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.45 ' OD1' HD22 ' A' ' 39' ' ' LEU . 1.8 m-80 -34.33 -51.48 0.45 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 9.5 t60 -48.03 -52.01 21.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.868 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 77.6 m-85 -60.97 -39.84 91.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.932 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.576 HD11 HD21 ' A' ' 52' ' ' LEU . 11.7 mt -66.09 -29.29 69.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.892 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -80.4 -51.9 8.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.058 179.818 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.0 ptmm? -56.98 -34.74 68.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 7.5 t -84.36 27.92 0.67 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.815 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 40.71 70.73 0.36 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.476 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.455 ' CB ' ' O ' ' A' ' 31' ' ' LEU . 7.8 t-80 -116.66 137.8 51.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.845 0.355 . . . . 0.0 110.862 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 10.5 ptpt -94.5 46.21 1.14 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.918 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 45.3 ttm-85 -173.6 140.29 0.78 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.843 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.45 HD22 ' OD1' ' A' ' 28' ' ' ASN . 82.0 mt -117.21 -174.88 2.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.917 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.6 HG23 ' CG ' ' A' ' 46' ' ' ASP . 86.0 mt -103.09 108.47 24.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.133 179.844 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 14.5 mmt180 -83.52 -62.98 1.44 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.919 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.495 ' N ' ' OD1' ' A' ' 46' ' ' ASP . 70.8 m-20 -112.93 98.18 7.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.867 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.621 HD11 ' CE2' ' A' ' 116' ' ' PHE . 13.3 tp -45.72 -36.31 4.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.927 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.618 ' CD ' HD13 ' A' ' 109' ' ' LEU . 6.3 mt-30 -68.85 -44.53 73.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.912 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 92.1 mt-30 -96.13 12.94 28.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.924 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.6 ' CG ' HG23 ' A' ' 40' ' ' ILE . 0.7 OUTLIER -102.55 -33.4 9.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.902 179.938 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.51 HG22 ' O ' ' A' ' 43' ' ' LEU . 34.5 m -106.76 38.42 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.165 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.4 HG23 ' O ' ' A' ' 44' ' ' GLN . 23.4 p -92.8 -35.55 13.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.118 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.497 ' O ' ' CB ' ' A' ' 81' ' ' ASN . 7.0 m-20 -93.42 -18.74 22.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.855 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 84.9 -28.9 4.34 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.503 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 86.0 t -52.66 -65.8 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.846 0.355 . . . . 0.0 111.117 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.576 HD21 HD11 ' A' ' 31' ' ' LEU . 2.0 tt -53.8 -39.82 65.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.906 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.667 HD11 HD11 ' A' ' 57' ' ' ILE . 5.4 tp -54.86 -55.52 29.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -54.14 -44.0 71.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.108 179.79 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 56.5 mt-30 -40.3 -32.98 0.21 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.966 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.665 HG12 ' HB1' ' A' ' 27' ' ' ALA . 5.2 mp -88.06 -51.36 12.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.122 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.667 HD11 HD11 ' A' ' 53' ' ' LEU . 70.9 mt -50.25 -55.6 5.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.125 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 39.9 mt-30 -49.99 -28.4 6.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 72.2 t -81.41 -69.1 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.108 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 7.5 p -50.07 -29.26 5.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.115 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -91.9 -26.73 18.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.13 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 10.6 m-80 71.87 39.2 0.86 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.904 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -145.51 162.91 36.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.901 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 6.7 tttp -111.14 136.53 50.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.935 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.437 ' HB ' ' CG1' ' A' ' 68' ' ' ILE . 13.6 mt -96.27 113.65 31.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.111 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -76.3 -24.74 54.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.511 ' O ' ' HB2' ' A' ' 84' ' ' ALA . 0.7 OUTLIER -82.55 44.04 0.86 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.848 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.437 ' CG1' ' HB ' ' A' ' 65' ' ' ILE . 31.3 mm -118.62 112.66 38.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.136 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.44 ' C ' ' OD1' ' A' ' 69' ' ' ASN . 13.1 t-20 -69.05 -59.67 2.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.922 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 76.79 127.34 0.29 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.474 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' CYS . . . . . 0.435 ' N ' ' CD ' ' A' ' 72' ' ' PRO . 56.1 m 66.75 55.02 0.84 Allowed Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.607 0.718 . . . . 0.0 110.899 -179.837 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.485 ' CG ' ' HG3' ' A' ' 78' ' ' MET . 53.1 Cg_endo -69.8 147.65 63.07 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.687 2.258 . . . . 0.0 112.344 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 58.4 mttt -116.98 -44.16 2.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.937 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.428 ' O ' ' N ' ' A' ' 77' ' ' GLN . 20.8 t-20 -83.98 133.31 34.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.923 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.492 ' HG2' ' CZ ' ' A' ' 105' ' ' ARG . 0.9 OUTLIER -38.77 -32.19 0.08 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.86 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.405 ' O ' ' N ' ' A' ' 79' ' ' ILE . 3.4 m -81.71 -42.86 19.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.814 -179.736 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.428 ' N ' ' O ' ' A' ' 74' ' ' ASN . 7.1 mt-30 -41.77 -27.44 0.11 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.895 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' MET . . . . . 0.485 ' HG3' ' CG ' ' A' ' 72' ' ' PRO . 1.5 mpt? -75.07 -44.52 47.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.405 ' N ' ' O ' ' A' ' 76' ' ' SER . 40.3 mm -41.33 -56.02 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.12 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.408 ' O ' ' C ' ' A' ' 81' ' ' ASN . 27.2 mt-10 -44.66 -60.17 2.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.93 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.497 ' CB ' ' O ' ' A' ' 49' ' ' ASP . 2.7 m-20 -37.46 -66.91 0.21 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.9 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 37.2 mt -55.82 -40.32 60.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.147 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -53.87 -52.41 60.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.853 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.511 ' HB2' ' O ' ' A' ' 67' ' ' ASP . . . -49.66 -42.17 44.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.092 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 59.8 m -64.42 -47.85 77.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 54.0 mt -57.13 -48.57 78.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.903 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 68.6 m-80 -69.2 -41.96 76.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.573 ' CZ ' ' HE2' ' A' ' 92' ' ' LYS . 20.7 t80 -61.49 -39.51 91.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.855 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 72.9 mt -68.45 -49.06 62.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.927 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -44.43 -53.57 6.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.115 179.745 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -50.12 -32.75 16.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.112 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.573 ' HE2' ' CZ ' ' A' ' 88' ' ' PHE . 39.5 mmtm -70.95 -26.16 63.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.857 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 120.24 29.32 1.64 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.506 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.714 HD11 ' HB2' ' A' ' 122' ' ' TYR . 52.0 mt . . . . . 0 C--N 1.329 -0.307 0 CA-C-O 120.856 0.36 . . . . 0.0 111.095 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 59.4 mt -59.9 176.76 0.28 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.848 0.356 . . . . 0.0 110.891 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 4.3 m -155.7 119.57 4.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.851 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -54.11 -50.69 66.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.08 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -50.68 -54.5 22.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.875 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -56.95 -45.4 82.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.868 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 76.5 mt -58.5 -50.27 79.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.104 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.492 ' CZ ' ' HG2' ' A' ' 75' ' ' ARG . 5.8 ttt-85 -52.98 -37.22 61.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.858 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 28.4 m120 -68.24 -28.3 67.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.891 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 107' ' ' GLY . . . . . 0.432 ' HA2' HD11 ' A' ' 112' ' ' ILE . . . 96.37 28.41 9.13 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.499 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 108' ' ' ASN . . . . . 0.559 ' O ' HD12 ' A' ' 112' ' ' ILE . 32.6 t30 -73.87 105.27 5.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.881 0.372 . . . . 0.0 110.902 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.715 HD22 ' OE2' ' A' ' 17' ' ' GLU . 8.6 tp -37.74 -49.75 1.17 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.892 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 29.8 mmtt -48.08 -42.24 28.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 111' ' ' ALA . . . . . 0.412 ' N ' ' O ' ' A' ' 108' ' ' ASN . . . -72.49 -64.09 1.02 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.083 179.829 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.68 ' H ' HD12 ' A' ' 112' ' ' ILE . 5.1 mp -43.7 -60.86 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.159 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.482 HD11 ' HG ' ' A' ' 109' ' ' LEU . 94.3 mt -43.79 -42.12 5.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.935 179.853 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -61.36 -47.59 89.94 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.486 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.884 HD23 ' N ' ' A' ' 116' ' ' PHE . 0.3 OUTLIER -55.14 -57.97 9.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.806 0.336 . . . . 0.0 110.882 -179.923 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.884 ' N ' HD23 ' A' ' 115' ' ' LEU . 10.7 m-85 -66.16 -27.97 68.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 117' ' ' PHE . . . . . 0.524 ' CD1' ' C ' ' A' ' 117' ' ' PHE . 1.8 t80 -64.28 -37.18 86.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.858 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 23.0 p -91.77 -48.76 6.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.862 -179.809 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.493 ' HA ' HD13 ' A' ' 94' ' ' ILE . 14.8 tp -42.76 -60.72 1.47 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.912 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 120' ' ' SER . . . . . 0.469 ' HA ' ' CZ2' ' A' ' 26' ' ' TRP . 5.8 t -37.9 -53.47 1.32 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.83 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 121' ' ' ARG . . . . . 0.405 ' C ' ' O ' ' A' ' 120' ' ' SER . 63.3 mtm180 -37.95 -45.54 0.88 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.846 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 122' ' ' TYR . . . . . 0.714 ' HB2' HD11 ' A' ' 94' ' ' ILE . 36.4 t80 -41.8 -56.7 2.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.901 -179.839 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 123' ' ' LYS . . . . . 0.423 ' O ' ' C ' ' A' ' 124' ' ' GLN . 12.6 tptp -78.25 -53.89 6.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 124' ' ' GLN . . . . . 0.423 ' C ' ' O ' ' A' ' 123' ' ' LYS . 43.3 mt-30 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.893 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.457 ' O ' ' N ' ' A' ' 18' ' ' ASP . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.402 ' C ' ' O ' ' A' ' 15' ' ' GLY . 40.4 mt -37.62 -53.79 1.2 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.715 0.293 . . . . 0.0 110.879 -179.88 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -55.96 -38.9 70.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.457 ' N ' ' O ' ' A' ' 15' ' ' GLY . 0.6 OUTLIER -69.58 -48.49 60.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.826 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.575 ' HA ' HD12 ' A' ' 22' ' ' ILE . 29.5 mt-30 -47.49 -41.34 20.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 -179.871 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 50.1 tttt -48.34 -36.87 15.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 24.2 ttp180 -75.92 -59.15 2.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.851 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.575 HD12 ' HA ' ' A' ' 19' ' ' GLN . 41.5 mt -38.41 -37.73 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.131 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 -74.82 -52.05 12.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.964 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.611 HG22 ' OD1' ' A' ' 28' ' ' ASN . 89.8 m -41.34 -53.12 3.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.145 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 31.8 t0 -60.63 -35.91 77.32 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.888 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 72.9 t90 -62.57 -44.48 96.23 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.688 ' HB1' HG12 ' A' ' 56' ' ' ILE . . . -76.44 -39.31 53.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.076 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.611 ' OD1' HG22 ' A' ' 24' ' ' THR . 23.4 m120 -47.33 -47.34 25.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.926 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 44.3 t60 -53.29 -53.67 47.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.848 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 73.9 m-85 -57.9 -19.27 28.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.917 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.492 HD22 ' CD2' ' A' ' 36' ' ' HIS . 15.8 mt -88.66 -47.25 8.4 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.921 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.79 -32.82 73.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.085 179.81 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.4 ptmm? -62.93 -38.31 90.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.916 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 56.0 p -89.58 18.2 5.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.854 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 63.47 61.58 6.15 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.501 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' HIS . . . . . 0.492 ' CD2' HD22 ' A' ' 31' ' ' LEU . 76.3 t60 -117.63 81.8 1.72 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.917 0.389 . . . . 0.0 110.852 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.436 ' C ' ' O ' ' A' ' 36' ' ' HIS . 35.9 mttp -34.19 -61.42 0.37 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.908 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.479 ' HG2' ' N ' ' A' ' 39' ' ' LEU . 57.4 ttm-85 -49.6 162.79 0.14 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.871 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.479 ' N ' ' HG2' ' A' ' 38' ' ' ARG . 50.7 mt -143.86 176.05 9.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.868 HG23 ' HB2' ' A' ' 46' ' ' ASP . 92.3 mt -98.24 114.75 36.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.126 179.858 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 14.1 mmt85 -82.88 -63.86 1.28 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.485 ' O ' ' N ' ' A' ' 45' ' ' GLN . 56.1 m-20 -114.78 100.69 8.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.842 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.712 HD11 ' CE2' ' A' ' 116' ' ' PHE . 14.9 tp -34.34 -37.12 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.903 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.419 ' N ' ' O ' ' A' ' 42' ' ' ASP . 49.8 mt-30 -63.83 -48.58 76.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.897 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.542 ' HA ' HG23 ' A' ' 48' ' ' THR . 15.7 mm100 -76.15 -25.98 55.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.933 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.868 ' HB2' HG23 ' A' ' 40' ' ' ILE . 0.2 OUTLIER -66.91 -11.58 56.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.876 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.658 ' O ' HG22 ' A' ' 104' ' ' ILE . 17.9 m -129.18 38.12 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.11 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.542 HG23 ' HA ' ' A' ' 45' ' ' GLN . 1.9 p -90.68 -33.86 15.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.182 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 30.4 p-10 -107.05 -15.39 14.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.838 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 85.41 -21.92 12.0 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.526 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 42.8 t -58.26 -67.56 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.925 0.393 . . . . 0.0 111.097 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.528 ' O ' HD12 ' A' ' 56' ' ' ILE . 0.9 OUTLIER -55.04 -33.1 62.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.947 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.644 ' HB2' HG12 ' A' ' 47' ' ' VAL . 2.0 tp -63.11 -51.0 68.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.883 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -62.91 -33.83 76.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.094 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -48.13 -26.14 1.75 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.868 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.688 HG12 ' HB1' ' A' ' 27' ' ' ALA . 5.0 mp -92.86 -57.3 4.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.159 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.5 HD11 HD11 ' A' ' 53' ' ' LEU . 57.4 mt -42.69 -54.77 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.154 179.838 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -50.44 -34.98 26.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 94.2 t -76.89 -65.26 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.104 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 6.6 p -54.34 -19.61 3.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.135 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -106.46 -9.21 16.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.103 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 62.8 t30 54.0 39.9 31.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -139.79 165.18 27.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.907 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 27.0 ttpt -116.75 137.71 52.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.863 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.428 ' HB ' ' CG1' ' A' ' 68' ' ' ILE . 17.4 mt -100.75 110.56 28.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.115 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -78.81 -10.58 59.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.871 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -94.41 38.88 1.09 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.887 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.428 ' CG1' ' HB ' ' A' ' 65' ' ' ILE . 23.2 mm -115.68 110.7 32.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.104 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 67.0 t30 -41.95 -48.89 4.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 100.44 -64.07 0.59 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.526 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 40.8 t -126.09 83.53 63.19 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.602 0.715 . . . . 0.0 110.853 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 137.37 35.28 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.696 2.264 . . . . 0.0 112.37 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 5.4 mtmp? -124.7 -34.23 2.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.855 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -90.46 169.4 11.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.887 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 4.2 ptp180 -71.44 -26.15 62.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.902 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.433 ' O ' ' N ' ' A' ' 79' ' ' ILE . 63.1 m -91.05 -36.27 14.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 -179.813 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -45.98 -26.62 0.75 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.972 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 18.7 mtt -81.85 -31.86 31.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.854 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.433 ' N ' ' O ' ' A' ' 76' ' ' SER . 26.9 mm -53.48 -50.78 47.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.129 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -55.7 -48.17 75.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.91 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 7.5 m-20 -45.41 -68.66 0.18 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.903 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 13.7 mt -52.56 -36.69 22.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.138 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -60.75 -44.53 96.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -55.77 -41.69 74.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.145 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 60.3 m -65.97 -42.5 89.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 73.5 mt -62.38 -43.26 99.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.881 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 69.0 m-80 -73.04 -38.66 66.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.877 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.483 ' CD1' ' C ' ' A' ' 88' ' ' PHE . 1.3 t80 -63.04 -38.07 89.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.45 HD22 HD12 ' A' ' 94' ' ' ILE . 26.8 mt -68.52 -49.42 59.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.951 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -45.95 -46.87 16.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.118 179.786 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -59.13 -30.97 68.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.124 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.427 ' HB3' ' CE2' ' A' ' 122' ' ' TYR . 69.3 mmtt -75.58 -14.6 60.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.91 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 107.03 38.99 2.06 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.464 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.553 HD11 ' HB2' ' A' ' 122' ' ' TYR . 73.4 mt . . . . . 0 C--N 1.329 -0.312 0 CA-C-O 120.852 0.358 . . . . 0.0 111.132 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.378 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 49.1 mt -69.01 171.86 7.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.851 0.358 . . . . 0.0 110.908 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 31.1 m -150.95 106.12 3.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.837 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -43.23 -40.61 3.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.149 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -60.24 -53.52 56.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 22.5 mm-40 -53.8 -44.73 70.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.872 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.658 HG22 ' O ' ' A' ' 47' ' ' VAL . 41.6 mt -58.03 -42.34 82.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.11 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 10.1 ttt85 -60.65 -33.29 72.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 63.5 m-20 -76.31 -18.37 58.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 90.74 35.82 7.1 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.482 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 108' ' ' ASN . . . . . 0.769 ' O ' HD12 ' A' ' 112' ' ' ILE . 11.3 t-20 -78.47 100.16 6.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.891 0.377 . . . . 0.0 110.871 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 4.4 tp -39.92 -65.07 0.43 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.927 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 12.5 mmtp -38.38 -34.23 0.12 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.94 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 111' ' ' ALA . . . . . 0.452 ' HB3' ' O ' ' A' ' 108' ' ' ASN . . . -76.36 -63.05 1.42 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.107 179.797 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.769 HD12 ' O ' ' A' ' 108' ' ' ASN . 5.3 mp -47.76 -58.83 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.134 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 75.8 mt -40.51 -47.28 2.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.915 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -55.51 -42.91 85.24 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.434 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.983 HD23 ' N ' ' A' ' 116' ' ' PHE . 0.1 OUTLIER -63.45 -57.88 8.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.853 0.358 . . . . 0.0 110.914 -179.922 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.983 ' N ' HD23 ' A' ' 115' ' ' LEU . 11.1 m-85 -66.15 -17.94 65.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.878 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 117' ' ' PHE . . . . . 0.473 ' CD1' ' C ' ' A' ' 117' ' ' PHE . 4.0 t80 -73.47 -36.83 65.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.874 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 118' ' ' SER . . . . . 0.411 ' OG ' HG23 ' A' ' 94' ' ' ILE . 8.0 t -93.27 -46.72 7.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.871 -179.792 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 5.5 tp -43.74 -53.04 6.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.969 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 56.7 p -52.27 -32.91 39.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.844 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 121' ' ' ARG . . . . . 0.482 ' CZ ' ' HB3' ' A' ' 121' ' ' ARG . 9.5 mtp-105 -61.07 -49.21 78.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.868 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 122' ' ' TYR . . . . . 0.553 ' HB2' HD11 ' A' ' 94' ' ' ILE . 4.8 t80 -41.62 -56.12 2.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.903 -179.854 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 9.1 tptp -63.24 -43.59 97.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.875 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 18.7 mm100 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.929 179.963 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 t -126.6 137.49 53.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.847 0.356 . . . . 0.0 110.856 -179.722 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 95.7 p -96.11 160.87 14.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.882 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -164.73 98.3 0.15 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.471 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.1 t -143.68 171.26 14.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.874 0.369 . . . . 0.0 110.851 -179.732 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.0 m -100.2 95.71 6.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.835 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -118.12 -138.7 6.02 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.522 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 24.7 pttm -90.66 140.61 29.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.763 0.316 . . . . 0.0 110.894 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 4.1 tpp85 -110.39 120.19 41.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.842 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 32.4 mttt -130.04 155.83 80.08 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.614 0.721 . . . . 0.0 110.884 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 113.22 3.29 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.688 2.259 . . . . 0.0 112.37 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 7.6 p -146.88 142.24 20.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.098 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 42.4 mm -86.7 150.46 3.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.127 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.752 ' CG ' HD11 ' A' ' 22' ' ' ILE . 72.3 m-70 -123.99 81.12 1.88 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -43.17 167.34 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.458 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 42.3 mt -41.29 -55.33 2.74 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.792 0.33 . . . . 0.0 110.897 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -58.02 -37.95 75.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.909 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.43 ' HB2' ' C ' ' A' ' 14' ' ' HIS . 10.9 m-20 -65.11 -38.34 90.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.864 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.434 ' O ' ' C ' ' A' ' 20' ' ' LYS . 25.1 mt-30 -60.57 -50.16 74.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.87 -179.872 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.554 ' HB2' HD11 ' A' ' 109' ' ' LEU . 34.4 tttt -35.05 -36.53 0.06 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.885 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.446 ' O ' ' C ' ' A' ' 22' ' ' ILE . 1.6 tmt_? -75.84 -64.43 1.09 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.878 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.752 HD11 ' CG ' ' A' ' 14' ' ' HIS . 91.2 mt -33.85 -50.51 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.119 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.527 ' CD1' ' HB3' ' A' ' 116' ' ' PHE . 26.6 m-85 -64.1 -49.75 71.02 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.94 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.536 HG22 ' ND2' ' A' ' 28' ' ' ASN . 41.5 m -43.64 -48.09 7.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.109 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 34.5 t0 -65.4 -43.85 89.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.858 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.419 ' CZ2' ' HA ' ' A' ' 120' ' ' SER . 91.7 t90 -55.02 -41.05 70.84 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.911 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.705 ' HB1' HD13 ' A' ' 56' ' ' ILE . . . -76.8 -56.64 4.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.113 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.536 ' ND2' HG22 ' A' ' 24' ' ' THR . 32.0 m-20 -38.7 -39.71 0.53 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.863 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -54.95 -44.2 74.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.858 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.648 ' CZ ' HG23 ' A' ' 60' ' ' VAL . 72.4 m-85 -69.86 -24.01 63.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 -179.795 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.566 HD11 HD21 ' A' ' 52' ' ' LEU . 15.2 mt -79.82 -56.92 3.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.934 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -57.0 -49.65 75.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.103 179.783 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 9.1 ptmt -46.62 -38.7 9.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.9 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 37.9 p -90.85 31.92 1.03 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 51.85 61.5 6.42 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.518 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.406 ' O ' ' C ' ' A' ' 37' ' ' LYS . 47.1 t-80 -119.39 85.47 2.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.809 0.338 . . . . 0.0 110.864 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 36' ' ' HIS . 35.2 mttt -37.59 -71.28 0.08 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.865 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 26.7 ttm180 -43.85 150.54 0.25 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.894 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.474 HD22 ' OD1' ' A' ' 28' ' ' ASN . 39.1 mt -133.17 179.91 5.9 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.903 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.823 HD11 HD11 ' A' ' 56' ' ' ILE . 95.9 mt -96.63 107.59 20.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.127 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 13.5 mmm-85 -83.66 -58.11 2.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.877 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.404 ' O ' ' N ' ' A' ' 45' ' ' GLN . 0.6 OUTLIER -115.0 101.33 8.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.863 179.943 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.538 HD11 ' CE2' ' A' ' 116' ' ' PHE . 13.7 tp -44.93 -41.71 7.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.934 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.547 ' CD ' HD13 ' A' ' 109' ' ' LEU . 31.3 mt-30 -66.35 -29.64 69.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.931 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.404 ' N ' ' O ' ' A' ' 42' ' ' ASP . 10.4 mt-30 -102.83 7.11 39.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.924 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.589 ' OD1' HD22 ' A' ' 52' ' ' LEU . 0.4 OUTLIER -100.64 -9.27 22.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.86 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.547 HG12 ' HB2' ' A' ' 53' ' ' LEU . 29.8 m -130.4 34.3 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.149 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 22.4 p -92.02 -25.02 19.01 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.131 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -108.81 -14.55 14.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.87 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 80.11 -17.08 10.29 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.456 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 91.0 t -61.79 -66.0 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.858 0.361 . . . . 0.0 111.126 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.61 HD23 ' O ' ' A' ' 52' ' ' LEU . 1.8 tt -59.32 -27.59 66.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.906 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.559 HD11 HD11 ' A' ' 57' ' ' ILE . 1.8 tp -65.76 -53.57 38.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.919 179.853 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.24 -37.04 81.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.099 179.783 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.501 ' O ' HG23 ' A' ' 59' ' ' VAL . 19.5 mt-30 -48.39 -22.89 0.78 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.94 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.823 HD11 HD11 ' A' ' 40' ' ' ILE . 11.6 mt -95.49 -48.83 12.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.107 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.559 HD11 HD11 ' A' ' 53' ' ' LEU . 47.2 mt -52.65 -54.66 14.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.148 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -53.61 -21.41 6.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.898 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.501 HG23 ' O ' ' A' ' 55' ' ' GLN . 85.5 t -86.24 -67.62 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.077 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.648 HG23 ' CZ ' ' A' ' 30' ' ' TYR . 13.9 p -52.95 -35.39 22.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.091 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -85.83 -24.47 26.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.059 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 8.3 m-80 68.18 38.89 2.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.914 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -139.55 160.26 40.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.2 139.27 41.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.4 ' HB ' ' CG1' ' A' ' 68' ' ' ILE . 20.1 mt -108.29 102.27 13.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.113 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -74.64 -14.46 60.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.916 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 64.0 m-20 -87.54 31.32 0.75 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.85 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.4 ' CG1' ' HB ' ' A' ' 65' ' ' ILE . 37.0 mm -111.83 118.62 58.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.158 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -44.83 -53.74 7.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.893 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 95.49 -47.95 1.9 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.542 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 92.1 m -129.53 80.87 71.07 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.672 0.748 . . . . 0.0 110.868 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.425 ' HB2' ' CG ' ' A' ' 78' ' ' MET . 53.7 Cg_endo -69.75 132.23 22.91 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.646 2.231 . . . . 0.0 112.303 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 22.9 mttt -127.95 -49.84 1.34 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 20.4 t30 -81.46 161.42 23.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.857 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.438 ' HB2' ' NH2' ' A' ' 105' ' ' ARG . 0.3 OUTLIER -61.96 -29.12 70.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.888 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 76.3 p -84.74 -45.46 12.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.876 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -41.77 -48.0 4.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.895 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.425 ' CG ' ' HB2' ' A' ' 72' ' ' PRO . 14.4 mtt -54.75 -37.95 66.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.836 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 4.3 mm -53.28 -59.07 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.169 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -41.14 -43.16 2.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.939 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -54.01 -66.0 0.47 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.939 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 16.1 mt -56.52 -40.46 68.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.087 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -57.15 -51.07 70.8 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.806 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -54.7 -38.2 66.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.085 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 49.3 m -66.23 -40.29 90.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.908 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 67.8 mt -65.15 -49.53 69.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.897 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 57.1 m-80 -64.52 -35.25 80.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.915 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.41 ' CE1' ' CG2' ' A' ' 57' ' ' ILE . 1.7 t80 -67.13 -36.22 81.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.423 HD22 HD12 ' A' ' 94' ' ' ILE . 27.8 mt -72.46 -45.43 59.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -50.84 -44.88 59.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.094 179.777 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -60.89 -28.79 69.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.135 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 25.9 mmtp -77.88 -10.27 59.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 102.79 27.73 6.56 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.51 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.638 HD11 ' HB2' ' A' ' 122' ' ' TYR . 78.2 mt -108.67 123.46 64.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.893 0.378 . . . . 0.0 111.122 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 17.9 t-20 -66.0 112.05 3.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.887 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 36.4 pt -107.99 -17.31 8.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.15 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 5.3 mm100 -47.01 131.72 12.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.94 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 110.22 -38.78 3.15 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.481 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 71.7 mt -62.88 -178.41 0.21 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.85 0.357 . . . . 0.0 110.899 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 13.1 m -162.95 107.3 1.09 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.844 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -42.94 -44.14 4.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.112 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -57.78 -52.44 65.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.878 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 32.8 mm-40 -55.03 -42.04 72.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.401 HG22 ' O ' ' A' ' 47' ' ' VAL . 23.2 mt -65.15 -41.7 92.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.126 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.438 ' NH2' ' HB2' ' A' ' 75' ' ' ARG . 15.8 ttt-85 -61.03 -34.71 75.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.835 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 25.7 m-20 -72.62 -26.56 61.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.895 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 100.82 21.15 12.61 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.446 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' ASN . . . . . 0.721 ' O ' HD12 ' A' ' 112' ' ' ILE . 60.3 t30 -67.16 106.85 2.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.879 0.371 . . . . 0.0 110.923 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.554 HD11 ' HB2' ' A' ' 20' ' ' LYS . 10.3 tp -42.86 -63.95 0.71 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.907 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.447 ' C ' ' O ' ' A' ' 109' ' ' LEU . 15.9 mmtm -34.32 -36.02 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 179.825 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' ALA . . . . . 0.44 ' N ' ' O ' ' A' ' 109' ' ' LEU . . . -78.0 -72.79 0.35 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.13 179.806 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.721 HD12 ' O ' ' A' ' 108' ' ' ASN . 5.3 mp -37.82 -52.28 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.149 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 17.0 mt -52.53 -46.91 66.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.905 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -57.69 -35.7 75.32 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.511 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.959 HD23 ' N ' ' A' ' 116' ' ' PHE . 0.2 OUTLIER -66.46 -57.21 7.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.839 0.352 . . . . 0.0 110.942 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.959 ' N ' HD23 ' A' ' 115' ' ' LEU . 12.4 m-85 -65.64 -14.76 61.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.879 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 117' ' ' PHE . . . . . 0.449 ' CD1' ' C ' ' A' ' 117' ' ' PHE . 3.3 t80 -78.56 -31.89 47.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 8.8 p -93.8 -42.4 9.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.877 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 12.5 tp -49.58 -59.1 4.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.928 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' SER . . . . . 0.419 ' HA ' ' CZ2' ' A' ' 26' ' ' TRP . 41.4 t -44.3 -40.82 5.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 39.5 mtp85 -51.07 -54.45 24.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.896 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' TYR . . . . . 0.638 ' HB2' HD11 ' A' ' 94' ' ' ILE . 1.3 t80 -40.57 -50.56 2.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.914 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 21.5 tptt -67.4 -55.12 15.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.858 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 59.3 mm-40 -50.7 146.6 5.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.893 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 22.2 tt0 69.94 35.03 2.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.958 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 7.5 mm100 -108.72 90.35 3.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.915 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 67.4 mt-30 -125.18 113.25 17.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.923 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 128' ' ' GLN . . . . . 0.464 ' N ' ' OE1' ' A' ' 128' ' ' GLN . 0.0 OUTLIER -118.95 142.49 32.03 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.609 0.718 . . . . 0.0 110.926 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--N 1.341 0.173 0 C-N-CA 122.692 2.261 . . . . 0.0 112.358 179.961 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.4 t -106.49 138.4 42.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.828 0.346 . . . . 0.0 110.881 -179.751 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.9 t -49.09 99.59 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.831 -179.792 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 119.76 -166.21 13.43 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.494 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.8 m -102.91 95.34 6.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.907 0.384 . . . . 0.0 110.813 -179.724 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.6 t -131.83 143.84 50.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.83 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -117.18 -146.61 8.38 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.481 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 21.1 mmtp -148.88 168.37 23.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.826 0.346 . . . . 0.0 110.868 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 8.5 mpt_? -99.93 -74.96 0.58 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.835 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.401 ' HD2' ' N ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -50.58 152.68 3.19 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.563 0.697 . . . . 0.0 110.92 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 134.46 27.93 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.692 2.261 . . . . 0.0 112.33 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 12.3 p -111.95 139.39 36.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.154 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.6 mm -92.63 135.15 28.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.084 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.619 ' CG ' HD11 ' A' ' 22' ' ' ILE . 82.9 m-70 -102.61 87.96 3.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 179.836 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.47 ' N ' ' HB2' ' A' ' 18' ' ' ASP . . . -46.54 173.63 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.477 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.465 ' HB3' HD23 ' A' ' 109' ' ' LEU . 87.5 mt -43.87 -60.91 1.62 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.818 0.342 . . . . 0.0 110.957 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.491 ' HA ' HD21 ' A' ' 109' ' ' LEU . 1.5 pm0 -55.64 -36.68 67.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.891 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.47 ' HB2' ' N ' ' A' ' 15' ' ' GLY . 0.9 OUTLIER -64.21 -41.45 97.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.85 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.408 ' O ' ' C ' ' A' ' 20' ' ' LYS . 35.5 mt-30 -53.52 -51.69 62.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 19' ' ' GLN . 33.5 tttt -36.25 -46.28 0.51 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.918 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.444 ' HD2' ' N ' ' A' ' 22' ' ' ILE . 1.4 tmm_? -60.25 -57.85 11.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.619 HD11 ' CG ' ' A' ' 14' ' ' HIS . 72.9 mt -44.84 -43.47 2.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.145 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 25.2 m-85 -73.05 -46.23 52.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.569 HG23 HG22 ' A' ' 40' ' ' ILE . 53.7 m -48.06 -55.85 9.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.135 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -64.09 -32.67 74.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.852 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 81.4 t90 -61.52 -47.26 86.42 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.907 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.506 ' HB1' HG12 ' A' ' 56' ' ' ILE . . . -70.52 -43.42 69.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.074 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.449 ' OD1' HD22 ' A' ' 39' ' ' LEU . 40.9 m-20 -46.65 -52.01 14.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.921 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -41.18 -43.9 2.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.86 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.522 ' CE2' ' HB ' ' A' ' 60' ' ' VAL . 96.8 m-85 -66.43 -44.64 82.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.915 -179.838 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.585 HD11 HD21 ' A' ' 52' ' ' LEU . 57.0 mt -62.86 -39.02 93.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.948 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -71.14 -52.51 18.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.1 179.774 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.467 ' NZ ' HG12 ' A' ' 59' ' ' VAL . 5.4 pttm -60.18 -30.81 69.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.911 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.9 t -80.78 -7.65 59.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.848 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.99 63.04 1.85 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.522 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 2.6 t-80 -116.62 156.6 26.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.864 0.364 . . . . 0.0 110.847 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 54.4 mmtt -94.0 -72.85 0.59 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.879 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 8.3 ttm-85 -63.59 131.69 48.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.906 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.449 HD22 ' OD1' ' A' ' 28' ' ' ASN . 39.6 mt -100.48 -175.14 2.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.943 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.569 HG22 HG23 ' A' ' 24' ' ' THR . 57.9 mt -96.71 102.57 13.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.164 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.404 ' N ' ' OD2' ' A' ' 46' ' ' ASP . 15.5 mmt-85 -79.46 -64.26 1.23 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.836 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -115.12 98.15 6.62 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.858 HD11 ' CE2' ' A' ' 116' ' ' PHE . 14.7 tp -43.52 -31.9 0.81 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.911 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.461 ' HG2' HD13 ' A' ' 112' ' ' ILE . 59.6 mt-30 -69.98 -40.22 75.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.639 ' HA ' HG23 ' A' ' 48' ' ' THR . 6.7 mm100 -84.57 -56.48 3.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.954 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.404 ' OD2' ' N ' ' A' ' 41' ' ' ARG . 28.4 m-20 -42.69 -23.66 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.839 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.726 HG22 ' O ' ' A' ' 43' ' ' LEU . 10.3 m -108.55 39.78 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.116 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.639 HG23 ' HA ' ' A' ' 45' ' ' GLN . 18.9 p -99.57 -27.43 13.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.128 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -108.04 -17.0 14.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 86.51 -21.31 18.51 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.509 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 70.0 t -54.55 -70.55 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.86 0.362 . . . . 0.0 111.138 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.662 ' O ' HD12 ' A' ' 56' ' ' ILE . 2.3 tt -54.61 -37.56 65.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.941 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.743 HD11 HD11 ' A' ' 57' ' ' ILE . 1.5 tp -56.3 -46.91 79.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.94 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -67.85 -38.99 83.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.071 179.82 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.7 ' O ' HG23 ' A' ' 59' ' ' VAL . 89.9 mt-30 -41.57 -30.23 0.21 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.921 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.662 HD12 ' O ' ' A' ' 52' ' ' LEU . 5.0 mp -92.14 -58.08 3.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.102 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.743 HD11 HD11 ' A' ' 53' ' ' LEU . 61.7 mt -39.22 -51.18 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.147 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 -60.58 -34.03 73.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.909 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.7 HG23 ' O ' ' A' ' 55' ' ' GLN . 69.4 t -74.57 -58.51 4.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.144 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.522 ' HB ' ' CE2' ' A' ' 30' ' ' TYR . 6.1 p -58.83 -25.95 30.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.08 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -98.53 -18.56 18.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.091 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 7.5 m120 65.82 30.78 9.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -133.24 159.76 39.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.847 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -108.06 137.5 45.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.886 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.41 ' HB ' ' CG1' ' A' ' 68' ' ' ILE . 35.6 mt -99.68 102.26 13.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.129 179.846 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -71.85 -9.66 58.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.839 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 46.1 t0 -94.32 34.98 1.22 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.863 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.41 ' CG1' ' HB ' ' A' ' 65' ' ' ILE . 29.3 mm -114.85 121.51 67.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.162 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 44.1 t30 -54.56 -52.96 60.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 101.28 -52.32 0.9 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.469 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 78.1 m -133.38 80.98 56.51 Favored Pre-proline 0 C--N 1.327 -0.378 0 CA-C-O 121.644 0.735 . . . . 0.0 110.853 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 122.79 9.46 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.693 2.262 . . . . 0.0 112.325 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 7.1 mmmm -110.96 -37.86 5.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.429 ' HB2' ' CG ' ' A' ' 77' ' ' GLN . 64.5 m-20 -79.92 166.57 21.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.916 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 1.1 tmt_? -72.69 -34.1 66.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.2 m -86.59 -29.02 22.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.429 ' CG ' ' HB2' ' A' ' 74' ' ' ASN . 6.4 mm-40 -48.19 -39.4 20.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.879 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 12.8 mtt -61.21 -43.1 99.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.848 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 20.8 mm -45.21 -58.0 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.149 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.418 ' O ' ' C ' ' A' ' 81' ' ' ASN . 20.6 mt-10 -44.18 -60.47 1.88 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.85 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.418 ' C ' ' O ' ' A' ' 80' ' ' GLU . 5.2 m-20 -36.16 -72.29 0.06 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 22.4 mt -48.93 -38.17 10.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.177 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -57.76 -49.99 74.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.897 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -52.59 -39.25 61.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.142 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 57.9 m -65.76 -37.79 87.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.885 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.47 ' O ' HG21 ' A' ' 96' ' ' ILE . 82.0 mt -68.23 -42.83 79.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 69.2 m-80 -75.21 -33.74 61.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.88 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 12.3 t80 -67.92 -31.19 70.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.907 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 42.2 mt -79.12 -45.47 19.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.923 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -53.25 -42.92 66.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.113 179.805 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -60.55 -20.8 61.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.111 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 21.8 mmtp -86.56 -16.6 36.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 112.49 33.38 2.11 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.46 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.567 HD11 ' HB2' ' A' ' 122' ' ' TYR . 67.1 mt -116.88 124.93 73.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.886 0.374 . . . . 0.0 111.096 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -67.73 115.0 6.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.86 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.47 HG21 ' O ' ' A' ' 86' ' ' LEU . 44.1 pt -107.94 -21.39 5.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.122 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 6.5 mm100 -40.72 127.85 2.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.907 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 111.98 -37.34 3.72 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.485 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 39.3 mt -68.07 154.54 41.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.787 0.327 . . . . 0.0 110.921 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 7.0 m -134.64 108.16 7.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.829 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -43.52 -38.56 2.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.139 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -61.03 -53.35 58.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -52.82 -44.82 66.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.869 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 17.4 mt -59.1 -46.44 91.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.158 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 18.8 ttt-85 -58.23 -35.67 72.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.892 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 84.3 m-20 -72.61 -22.79 60.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 93.35 36.49 5.9 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.477 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' ASN . . . . . 0.761 ' O ' HD12 ' A' ' 112' ' ' ILE . 4.0 t-20 -80.9 102.23 9.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.882 0.372 . . . . 0.0 110.869 -179.853 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.491 HD21 ' HA ' ' A' ' 17' ' ' GLU . 2.6 tp -37.87 -55.3 1.21 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 12.6 mmtp -45.42 -40.75 8.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' ALA . . . . . 0.401 ' N ' ' O ' ' A' ' 108' ' ' ASN . . . -70.5 -63.66 1.05 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.14 179.793 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.761 HD12 ' O ' ' A' ' 108' ' ' ASN . 5.3 mp -46.75 -61.45 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.132 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 85.1 mt -44.82 -45.3 10.05 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.923 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -58.34 -32.91 68.95 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.511 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 1.02 HD23 ' N ' ' A' ' 116' ' ' PHE . 0.1 OUTLIER -73.26 -58.44 3.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.816 0.341 . . . . 0.0 110.916 -179.933 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 1.02 ' N ' HD23 ' A' ' 115' ' ' LEU . 12.1 m-85 -63.58 -20.48 65.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.851 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 12.8 t80 -70.54 -33.07 70.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 5.0 m -93.8 -43.6 8.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 10.4 tp -49.03 -57.83 5.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.928 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.3 t -42.34 -45.7 4.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.838 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 35.5 mtp85 -47.45 -50.94 21.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.863 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' TYR . . . . . 0.567 ' HB2' HD11 ' A' ' 94' ' ' ILE . 2.2 t80 -47.47 -51.35 20.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.967 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 27.9 tptt -64.21 -48.57 75.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.87 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -61.9 153.68 28.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.929 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 58.6 mt-30 48.96 48.19 20.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.874 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -81.77 49.85 1.42 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 -95.28 -39.1 10.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.867 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -136.95 151.26 71.85 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.569 0.7 . . . . 0.0 110.943 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--N 1.341 0.15 0 C-N-CA 122.681 2.254 . . . . 0.0 112.351 -179.984 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.8 p -131.06 119.54 22.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.837 0.351 . . . . 0.0 110.847 -179.708 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 61.4 p -40.37 -48.09 2.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.87 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 112.09 167.43 17.83 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.534 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.2 t -163.81 146.1 9.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.855 0.36 . . . . 0.0 110.829 -179.711 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 36.3 t -60.39 -56.29 23.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.845 -179.795 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 107.08 82.06 1.46 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.474 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 28.6 mmtm -85.74 105.12 16.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.808 0.337 . . . . 0.0 110.88 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.417 ' O ' ' CD ' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -92.03 20.84 5.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.895 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 43.5 mttt -79.69 143.48 58.76 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.629 0.728 . . . . 0.0 110.892 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 118.9 5.96 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.715 2.277 . . . . 0.0 112.347 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.466 HG22 ' N ' ' A' ' 13' ' ' ILE . 3.2 p -140.14 155.67 24.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.116 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.466 ' N ' HG22 ' A' ' 12' ' ' VAL . 19.2 mm -84.52 153.97 3.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.155 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.445 ' CG ' HD11 ' A' ' 22' ' ' ILE . 46.7 m-70 -119.35 83.43 2.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.839 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.411 ' O ' ' N ' ' A' ' 18' ' ' ASP . . . -48.97 164.54 0.35 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.473 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 76.0 mt -42.95 -46.6 5.47 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.768 0.318 . . . . 0.0 110.877 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -63.4 -32.59 74.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.88 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.411 ' N ' ' O ' ' A' ' 15' ' ' GLY . 8.5 m-20 -74.05 -33.96 63.9 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.407 ' O ' ' C ' ' A' ' 20' ' ' LYS . 22.4 mt-30 -64.06 -49.72 71.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.905 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.531 ' O ' HD22 ' A' ' 43' ' ' LEU . 31.2 tttt -37.39 -47.55 0.87 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.931 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.41 ' O ' ' N ' ' A' ' 24' ' ' THR . 5.5 tmm_? -67.15 -58.79 4.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.445 HD11 ' CG ' ' A' ' 14' ' ' HIS . 94.5 mt -40.44 -45.35 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.157 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.441 ' CG ' ' HB3' ' A' ' 116' ' ' PHE . 19.5 m-85 -70.08 -36.52 74.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.902 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.41 ' N ' ' O ' ' A' ' 21' ' ' ARG . 70.5 m -56.62 -66.54 0.42 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.154 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -48.64 -33.44 9.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.879 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.566 ' CZ2' ' HA ' ' A' ' 120' ' ' SER . 90.3 t90 -65.33 -51.86 57.71 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.926 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.718 ' HB2' ' CE1' ' A' ' 116' ' ' PHE . . . -68.19 -51.99 39.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.132 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.589 ' OD1' HD12 ' A' ' 40' ' ' ILE . 1.3 m-20 -46.85 -40.41 13.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.85 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -51.4 -36.73 44.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.84 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.491 ' HB2' HG23 ' A' ' 56' ' ' ILE . 71.8 m-85 -73.03 -19.51 61.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.94 -179.84 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.772 HD11 HD21 ' A' ' 52' ' ' LEU . 32.0 mt -84.29 -42.16 16.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.947 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -72.21 -28.08 62.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.129 179.77 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 3.4 ptmm? -73.85 -39.72 63.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.862 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 31.4 m -82.28 12.79 4.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.868 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 61.65 52.92 47.68 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.43 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.619 ' CE1' ' HB3' ' A' ' 38' ' ' ARG . 44.1 t-80 -93.34 134.04 35.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.84 0.352 . . . . 0.0 110.835 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 22.7 mmtm -86.98 50.97 2.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.903 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.619 ' HB3' ' CE1' ' A' ' 36' ' ' HIS . 23.8 ttm180 -175.62 163.45 2.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.866 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 50.0 mt -137.41 -178.06 5.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.93 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.794 HD11 HD11 ' A' ' 56' ' ' ILE . 81.8 mt -104.18 111.56 34.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.152 179.817 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 3.3 tpp85 -86.19 -61.05 1.83 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.872 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.495 ' O ' ' N ' ' A' ' 46' ' ' ASP . 3.3 m-20 -115.1 107.59 15.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.852 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.571 HD11 ' CE2' ' A' ' 116' ' ' PHE . 13.2 tp -54.58 -39.88 68.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.918 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.572 ' CD ' HD13 ' A' ' 109' ' ' LEU . 32.7 mt-30 -76.11 -1.98 28.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 70.2 mt-30 -129.89 -1.65 4.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.903 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.708 ' OD1' HG13 ' A' ' 47' ' ' VAL . 0.4 OUTLIER -93.01 -16.23 25.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.833 179.948 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.708 HG13 ' OD1' ' A' ' 46' ' ' ASP . 18.0 m -118.02 34.09 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.085 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 37.7 p -92.71 -33.14 14.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.14 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -97.68 -10.77 24.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.896 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 70.16 -1.74 17.2 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.485 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 66.8 t -74.12 -69.39 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.814 0.34 . . . . 0.0 111.157 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.772 HD21 HD11 ' A' ' 31' ' ' LEU . 1.7 tt -56.29 -35.65 67.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.944 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.579 HD11 HD11 ' A' ' 57' ' ' ILE . 6.0 tp -52.52 -58.81 5.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.954 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -53.82 -46.73 71.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.1 179.809 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.509 ' O ' HG23 ' A' ' 59' ' ' VAL . 36.5 mt-30 -41.72 -28.04 0.13 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.92 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.794 HD11 HD11 ' A' ' 40' ' ' ILE . 17.4 mt -91.35 -48.45 13.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.167 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.579 HD11 HD11 ' A' ' 53' ' ' LEU . 62.7 mt -54.45 -55.9 12.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.116 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -48.69 -30.71 5.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.92 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.509 HG23 ' O ' ' A' ' 55' ' ' GLN . 89.5 t -76.61 -66.31 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.087 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 5.9 p -53.67 -26.86 14.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.134 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -97.22 -16.21 20.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.101 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 11.8 m-80 60.92 31.19 19.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.901 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -129.79 163.23 26.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.872 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 4.6 ttmt -113.13 136.54 52.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.904 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.443 ' CG2' HG12 ' A' ' 68' ' ' ILE . 19.4 mt -103.07 103.45 15.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.142 179.858 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -75.7 -12.38 60.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.862 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 29.6 m-20 -91.73 35.1 0.96 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.875 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.443 HG12 ' CG2' ' A' ' 65' ' ' ILE . 40.8 mm -114.4 126.39 71.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.133 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 56.9 t30 -57.85 -70.88 0.12 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.927 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 112.2 -46.39 1.18 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.518 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 8.8 m -133.96 81.64 51.26 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.629 0.728 . . . . 0.0 110.862 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 140.63 43.13 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.679 2.253 . . . . 0.0 112.368 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 71.4 mttt -129.81 -32.76 1.86 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.905 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -93.51 168.83 10.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.902 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -71.34 -28.88 64.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.904 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.426 ' O ' ' C ' ' A' ' 77' ' ' GLN . 82.9 p -90.11 -40.76 12.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.857 -179.802 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.426 ' C ' ' O ' ' A' ' 76' ' ' SER . 7.2 mm-40 -36.11 -40.96 0.23 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.903 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.408 ' O ' ' C ' ' A' ' 79' ' ' ILE . 20.2 mtt -62.81 -50.07 72.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.419 ' N ' ' O ' ' A' ' 76' ' ' SER . 36.0 mm -37.38 -54.72 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.104 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 39.6 mm-40 -52.12 -45.34 64.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.905 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -51.08 -63.32 1.17 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.883 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 17.5 mt -59.92 -38.53 76.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.145 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -57.4 -48.48 78.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.847 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -52.53 -41.94 63.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.129 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 58.7 m -65.18 -40.49 94.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.719 ' O ' HG21 ' A' ' 96' ' ' ILE . 34.7 mt -67.11 -45.72 76.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.914 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 69.2 m-80 -67.37 -35.12 78.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.898 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.461 ' CD1' ' C ' ' A' ' 88' ' ' PHE . 1.4 t80 -67.6 -42.84 81.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.879 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 30.0 mt -66.56 -40.36 88.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.9 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -53.23 -41.42 65.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.124 179.781 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -62.67 -9.8 10.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.089 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 51.3 mmtt -97.45 -13.05 22.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 110.3 21.81 6.77 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.494 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.667 HD11 ' HB2' ' A' ' 122' ' ' TYR . 64.0 mt -105.61 139.56 26.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.867 0.365 . . . . 0.0 111.14 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -79.04 121.41 24.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.82 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.719 HG21 ' O ' ' A' ' 86' ' ' LEU . 39.1 pt -118.13 -24.67 3.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.15 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -40.7 -50.51 3.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.895 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -56.42 -40.79 86.87 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.502 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 63.3 mt -66.04 165.17 13.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.808 0.337 . . . . 0.0 110.932 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 17.0 m -141.62 106.56 4.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.852 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -44.94 -44.25 9.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.137 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -58.85 -53.36 59.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.874 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -53.68 -50.55 65.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.85 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.426 HG22 ' O ' ' A' ' 47' ' ' VAL . 42.4 mt -52.08 -44.49 39.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.114 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 52.1 ttt-85 -56.96 -36.22 70.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.895 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 46.1 m-80 -73.38 -19.57 60.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.889 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 94.8 9.83 58.23 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.51 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' ASN . . . . . 0.636 ' O ' HD12 ' A' ' 112' ' ' ILE . 27.6 t-20 -52.69 107.28 0.21 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.905 0.384 . . . . 0.0 110.883 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.572 HD13 ' CD ' ' A' ' 44' ' ' GLN . 16.9 tp -45.5 -58.9 3.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.959 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 9.0 mmtp -42.76 -24.19 0.06 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 179.776 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' ALA . . . . . 0.454 ' HB3' ' O ' ' A' ' 108' ' ' ASN . . . -87.44 -61.4 1.73 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.141 179.833 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.676 ' H ' HD12 ' A' ' 112' ' ' ILE . 4.8 mp -48.45 -51.1 11.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.131 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 17.6 mt -52.48 -50.31 62.98 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -54.95 -31.96 55.79 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.501 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 1.029 HD23 ' N ' ' A' ' 116' ' ' PHE . 0.1 OUTLIER -71.8 -60.27 2.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.849 0.357 . . . . 0.0 110.933 -179.927 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 1.029 ' N ' HD23 ' A' ' 115' ' ' LEU . 10.8 m-85 -64.7 -19.77 65.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.922 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -72.11 -34.62 68.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.878 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 23.2 m -93.04 -46.66 7.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.859 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 11.3 tp -46.4 -58.01 4.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.938 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' SER . . . . . 0.566 ' HA ' ' CZ2' ' A' ' 26' ' ' TRP . 28.2 t -45.59 -43.87 12.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.877 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 78.5 mtp180 -54.45 -50.73 67.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.822 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' TYR . . . . . 0.667 ' HB2' HD11 ' A' ' 94' ' ' ILE . 0.5 OUTLIER -46.35 -25.58 0.67 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.912 -179.803 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 15.0 tptp -97.47 -38.92 9.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.942 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -56.73 -15.61 4.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.968 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 55.6 mt-30 -108.86 -36.88 6.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.909 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 7.9 tm0? -48.06 -51.15 25.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.854 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -45.27 146.27 0.97 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.888 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 25.5 tt0 -116.61 132.81 23.17 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.607 0.717 . . . . 0.0 110.852 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo . . . . . 0 C--N 1.341 0.17 0 C-N-CA 122.672 2.248 . . . . 0.0 112.305 179.983 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.6 m -50.3 -57.27 8.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.905 0.383 . . . . 0.0 110.897 -179.772 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.0 t -52.28 168.67 0.09 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.873 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 171.44 -166.05 39.07 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.528 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.3 m -108.09 46.02 0.98 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.899 0.38 . . . . 0.0 110.896 -179.762 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 87.1 p -85.82 148.62 25.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.851 -179.775 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -153.74 -127.61 1.19 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.469 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.488 ' HE2' ' N ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -161.89 172.99 15.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.78 0.324 . . . . 0.0 110.915 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 22.2 mtp180 -107.56 119.84 40.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.914 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 40.4 mttm -122.56 156.64 61.02 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-O 121.606 0.717 . . . . 0.0 110.907 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 113.79 3.49 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.678 2.252 . . . . 0.0 112.331 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 8.5 p -163.3 153.61 2.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.131 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 40.5 mm -102.28 138.88 24.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.124 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.5 ' CG ' HD11 ' A' ' 22' ' ' ILE . 86.8 m-70 -115.19 79.92 1.35 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.834 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.404 ' O ' ' C ' ' A' ' 16' ' ' LEU . . . -44.02 167.51 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.501 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.404 ' C ' ' O ' ' A' ' 15' ' ' GLY . 69.3 mt -38.1 -61.22 0.68 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.753 0.311 . . . . 0.0 110.921 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -51.42 -37.48 48.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.916 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.439 ' HB2' ' C ' ' A' ' 14' ' ' HIS . 1.6 m-20 -70.74 -34.94 72.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.852 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.444 ' HA ' HD12 ' A' ' 22' ' ' ILE . 31.4 mt-30 -61.43 -43.13 99.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.954 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 22.1 tttt -44.63 -23.16 0.11 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.924 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 4.3 tpt180 -86.4 -45.71 10.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.867 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.5 HD11 ' CG ' ' A' ' 14' ' ' HIS . 50.7 mt -56.23 -46.7 81.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.114 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.447 ' CD1' ' HB3' ' A' ' 116' ' ' PHE . 24.1 m-85 -65.57 -31.59 72.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.972 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 54.9 m -62.53 -47.47 83.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.128 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 43.2 t0 -65.15 -36.51 84.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 64.6 t90 -56.57 -59.0 5.65 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.925 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.669 ' HB1' HD13 ' A' ' 56' ' ' ILE . . . -61.29 -47.71 84.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.135 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 9.3 m-20 -38.1 -35.71 0.17 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -62.42 -57.45 11.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.842 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.529 ' CE1' ' HA ' ' A' ' 60' ' ' VAL . 87.2 m-85 -54.21 -32.93 57.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.943 -179.828 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.517 HD11 HD21 ' A' ' 52' ' ' LEU . 12.6 mt -71.67 -53.99 11.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.945 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -57.25 -54.62 44.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.115 179.793 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.33 -34.89 35.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.912 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.4 t -75.36 -21.78 58.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.862 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.43 ' O ' ' C ' ' A' ' 36' ' ' HIS . . . 118.78 -30.06 6.06 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.449 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.463 ' CG ' HD22 ' A' ' 31' ' ' LEU . 12.8 m80 -35.23 128.94 0.52 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.816 0.341 . . . . 0.0 110.887 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 4.2 mmmm -86.76 -28.76 22.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.883 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.437 ' HG2' ' N ' ' A' ' 39' ' ' LEU . 27.3 ttm180 -85.59 155.62 21.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.867 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.437 ' N ' ' HG2' ' A' ' 38' ' ' ARG . 34.7 mt -125.55 -175.39 3.31 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.937 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.711 HG23 ' CG ' ' A' ' 46' ' ' ASP . 73.2 mt -97.13 113.09 30.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.121 179.824 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 11.7 mmm-85 -88.49 -61.11 1.78 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.904 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.486 ' O ' ' N ' ' A' ' 46' ' ' ASP . 1.8 m-20 -113.78 100.07 8.17 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.69 HD11 ' CE2' ' A' ' 116' ' ' PHE . 11.8 tp -49.91 -38.26 35.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.907 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.42 ' HG2' HD13 ' A' ' 112' ' ' ILE . 57.4 mt-30 -72.81 -22.43 60.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.921 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -113.5 9.49 18.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.912 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.711 ' CG ' HG23 ' A' ' 40' ' ' ILE . 1.4 m-20 -102.51 -33.74 9.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.847 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.486 HG22 ' O ' ' A' ' 43' ' ' LEU . 27.2 m -101.15 29.06 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.112 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 33.9 p -87.35 -35.6 18.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.175 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -90.15 -18.29 26.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.856 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 79.33 -14.4 16.41 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.494 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 63.5 t -68.11 -70.12 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.823 0.344 . . . . 0.0 111.162 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.582 HD23 ' O ' ' A' ' 52' ' ' LEU . 1.6 tt -51.04 -30.69 16.26 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.948 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.61 HD11 HD11 ' A' ' 57' ' ' ILE . 2.8 tp -61.26 -50.36 73.34 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.423 ' O ' ' N ' ' A' ' 56' ' ' ILE . . . -61.78 -46.52 89.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.074 179.827 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.401 ' C ' ' O ' ' A' ' 54' ' ' ALA . 55.3 mt-30 -38.06 -31.09 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.942 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.706 HD11 HD11 ' A' ' 40' ' ' ILE . 12.9 mt -88.97 -56.04 5.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.124 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.61 HD11 HD11 ' A' ' 53' ' ' LEU . 60.5 mt -43.53 -63.43 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.133 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.503 ' O ' ' N ' ' A' ' 62' ' ' ASN . 32.1 mt-30 -39.43 -41.89 1.02 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 59.4 t -69.68 -67.4 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.09 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.529 ' HA ' ' CE1' ' A' ' 30' ' ' TYR . 3.5 p -49.68 -22.63 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.146 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -101.83 -22.56 14.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.063 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.503 ' N ' ' O ' ' A' ' 58' ' ' GLN . 4.4 m120 69.03 39.71 1.73 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.894 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -149.66 160.24 43.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.898 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 15.8 tttt -109.1 138.04 46.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.907 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.544 HG22 ' H ' ' A' ' 67' ' ' ASP . 13.9 mt -93.97 115.01 31.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.139 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -84.53 0.42 49.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.918 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.544 ' H ' HG22 ' A' ' 65' ' ' ILE . 0.4 OUTLIER -107.87 37.8 2.35 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.921 179.946 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 36.7 mm -114.12 122.96 69.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.167 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -54.23 -59.27 4.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 104.18 -54.68 0.64 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.465 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 52.0 t -124.12 77.2 59.78 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.614 0.721 . . . . 0.0 110.905 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.411 ' HB2' ' CG ' ' A' ' 78' ' ' MET . 54.0 Cg_endo -69.72 98.62 0.69 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.647 2.231 . . . . 0.0 112.398 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 58.1 mmtt -91.49 -52.08 4.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.895 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.442 ' HB2' ' CG ' ' A' ' 77' ' ' GLN . 2.5 m120 -63.79 168.06 5.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.918 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 7.8 tmm_? -75.05 -36.0 61.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.923 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 59.0 p -84.65 -31.48 24.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.881 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.442 ' CG ' ' HB2' ' A' ' 74' ' ' ASN . 13.2 mm-40 -47.96 -40.16 21.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.952 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.411 ' CG ' ' HB2' ' A' ' 72' ' ' PRO . 20.6 mtt -59.08 -43.07 91.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.892 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 32.0 mm -47.9 -53.16 5.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.163 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 64.0 mt-10 -47.62 -51.98 19.51 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -41.8 -72.61 0.06 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.855 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 20.8 mt -49.57 -40.53 15.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.104 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.418 ' HA ' HD12 ' A' ' 86' ' ' LEU . 8.7 t0 -56.72 -45.24 82.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 179.839 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.429 ' HB1' ' OD2' ' A' ' 67' ' ' ASP . . . -51.96 -50.93 60.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.068 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 41.4 m -56.95 -42.95 81.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.871 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.642 ' O ' HG21 ' A' ' 96' ' ' ILE . 63.9 mt -59.68 -43.68 93.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 -179.844 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 67.5 m-80 -70.81 -39.64 72.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.885 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 10.8 t80 -66.2 -42.81 88.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.868 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.646 HD22 HD12 ' A' ' 94' ' ' ILE . 27.2 mt -68.13 -40.74 82.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.947 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -54.45 -41.52 69.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.081 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -61.27 -21.6 64.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.107 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 35.0 mmtt -87.77 -13.31 42.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.859 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 108.49 29.35 4.22 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.46 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.799 HD11 ' HB2' ' A' ' 122' ' ' TYR . 71.3 mt -111.8 123.06 67.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.829 0.347 . . . . 0.0 111.108 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 10.3 t30 -61.21 132.47 53.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.892 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.642 HG21 ' O ' ' A' ' 86' ' ' LEU . 21.4 pt -128.56 -29.31 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.101 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.441 ' C ' ' O ' ' A' ' 96' ' ' ILE . 33.9 mm-40 -34.51 -51.78 0.48 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.933 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -57.93 -44.7 94.34 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.499 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.418 ' N ' ' O ' ' A' ' 96' ' ' ILE . 52.4 mt -64.46 146.59 54.29 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.829 0.347 . . . . 0.0 110.96 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 4.0 m -128.94 110.74 12.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.863 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -44.11 -50.78 8.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.088 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -52.42 -58.2 7.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.846 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 22.3 mm-40 -52.93 -46.95 68.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.705 HG12 ' HB1' ' A' ' 111' ' ' ALA . 32.3 mt -58.89 -41.64 83.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.143 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 14.7 ttt-85 -66.87 -24.69 66.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 34.1 m-20 -83.42 -21.91 32.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.869 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 104.84 8.2 37.32 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.473 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' ASN . . . . . 0.703 ' O ' HD12 ' A' ' 112' ' ' ILE . 2.9 t-20 -54.23 99.35 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.88 0.372 . . . . 0.0 110.893 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 12.3 tp -38.47 -58.64 1.0 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.918 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 2.3 mptt -39.35 -44.17 1.28 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.849 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' ALA . . . . . 0.705 ' HB1' HG12 ' A' ' 104' ' ' ILE . . . -66.84 -58.55 4.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.088 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.727 ' H ' HD12 ' A' ' 112' ' ' ILE . 5.3 mp -52.47 -63.33 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.144 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 19.0 mt -47.08 -48.06 22.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -57.39 -34.62 68.78 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.484 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 1.031 HD23 ' N ' ' A' ' 116' ' ' PHE . 0.2 OUTLIER -69.24 -62.53 1.34 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.848 0.356 . . . . 0.0 110.909 -179.956 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 1.031 ' N ' HD23 ' A' ' 115' ' ' LEU . 10.6 m-85 -59.52 -11.17 4.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.86 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 117' ' ' PHE . . . . . 0.492 ' CD1' ' C ' ' A' ' 117' ' ' PHE . 3.3 t80 -85.38 -34.32 21.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.878 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 1.5 p -92.94 -29.43 15.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.885 -179.8 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 11.9 tp -65.46 -54.11 33.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.907 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 29.9 p -50.1 -27.62 5.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 44.8 mtp180 -64.29 -50.4 68.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.865 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' TYR . . . . . 0.799 ' HB2' HD11 ' A' ' 94' ' ' ILE . 9.8 t80 -40.22 -55.63 2.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.931 -179.851 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 123' ' ' LYS . . . . . 0.433 ' O ' ' C ' ' A' ' 124' ' ' GLN . 14.5 tptp -70.4 -54.06 13.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.869 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 124' ' ' GLN . . . . . 0.433 ' C ' ' O ' ' A' ' 123' ' ' LYS . 33.0 mt-30 -35.99 -54.91 0.77 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.874 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 125' ' ' GLN . . . . . 0.444 ' O ' ' N ' ' A' ' 127' ' ' GLN . 64.8 tp60 -48.05 -47.86 33.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.942 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 21.0 mt-30 -62.86 75.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.837 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 127' ' ' GLN . . . . . 0.444 ' N ' ' O ' ' A' ' 125' ' ' GLN . 82.1 mt-30 -95.54 117.18 29.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 2.7 tp-100 -83.75 132.83 47.7 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.585 0.707 . . . . 0.0 110.928 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.231 0.17 0 C-N-CA 122.701 2.268 . . . . 0.0 112.329 -179.978 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.5 p -137.9 124.08 20.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.946 0.403 . . . . 0.0 110.815 -179.758 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.2 m -102.84 135.04 45.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.91 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -177.41 -171.01 40.47 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.448 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 t -157.78 119.15 3.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.876 0.37 . . . . 0.0 110.863 -179.774 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.9 t -90.37 -51.86 5.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.844 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 129.22 97.03 0.83 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.45 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.6 mptt -96.55 140.53 31.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.812 0.339 . . . . 0.0 110.85 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 10.4 ptm180 -86.18 17.5 3.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.857 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 23.9 mttp -87.77 153.83 52.69 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.602 0.715 . . . . 0.0 110.907 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 124.79 11.46 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.699 2.266 . . . . 0.0 112.37 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 58.9 t -60.12 127.63 19.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.108 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.0 mm -110.83 150.21 13.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.159 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 4.9 m80 -119.52 53.75 1.03 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.496 ' O ' ' N ' ' A' ' 18' ' ' ASP . . . -69.24 151.09 50.8 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.473 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.607 ' O ' HD11 ' A' ' 113' ' ' LEU . 88.8 mt -39.1 -33.35 0.12 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.764 0.316 . . . . 0.0 110.947 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -81.62 -37.56 27.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.925 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.496 ' N ' ' O ' ' A' ' 15' ' ' GLY . 6.7 m-20 -67.78 -44.91 76.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.866 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.438 ' HB2' HD22 ' A' ' 113' ' ' LEU . 15.5 mt-30 -56.85 -38.27 72.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 28.2 tttt -52.02 -27.48 13.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.846 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 8.0 tpp85 -89.04 -46.51 8.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.908 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 92.7 mt -49.33 -50.24 16.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.183 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.537 ' CG ' ' HB3' ' A' ' 116' ' ' PHE . 23.8 m-85 -63.57 -39.12 93.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.886 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.549 HG23 ' HB ' ' A' ' 40' ' ' ILE . 90.1 m -54.28 -44.82 72.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.112 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -69.15 -40.35 78.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 59.1 t90 -53.42 -51.04 63.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.93 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.523 ' HB1' HD13 ' A' ' 56' ' ' ILE . . . -68.19 -41.74 80.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.108 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.602 ' OD1' HD22 ' A' ' 39' ' ' LEU . 1.4 m-80 -45.73 -31.93 2.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 24.1 t60 -69.89 -40.12 75.84 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.857 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 60.8 m-85 -73.79 -25.84 60.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.917 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 19.8 mt -84.56 -42.41 15.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.956 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -70.26 -34.49 72.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.105 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.6 ptmm? -68.62 -36.77 79.08 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.869 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.6 t -83.23 20.11 1.35 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.834 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 53.54 61.46 7.01 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.463 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 12.4 t-80 -107.79 125.18 51.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.914 0.387 . . . . 0.0 110.832 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.93 47.82 1.15 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 18.7 ttt180 -167.3 148.84 5.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.87 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.602 HD22 ' OD1' ' A' ' 28' ' ' ASN . 29.3 mt -127.72 -177.51 4.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.938 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.689 HD11 HD11 ' A' ' 56' ' ' ILE . 65.5 mt -106.14 114.92 46.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.099 179.826 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 67.3 mtt180 -95.77 -58.72 2.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.494 ' O ' ' N ' ' A' ' 46' ' ' ASP . 0.4 OUTLIER -113.42 101.38 9.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.891 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.698 HD11 ' CE2' ' A' ' 116' ' ' PHE . 12.7 tp -50.93 -38.65 51.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.911 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.52 ' NE2' HD13 ' A' ' 109' ' ' LEU . 30.0 mt-30 -68.8 -38.94 80.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.9 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.408 ' HB2' ' CG ' ' A' ' 42' ' ' ASP . 10.9 mt-30 -99.11 10.9 40.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.946 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.614 ' CG ' HG23 ' A' ' 40' ' ' ILE . 2.8 m-20 -101.33 -28.31 12.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.426 HG12 ' HB2' ' A' ' 53' ' ' LEU . 23.4 m -110.67 34.55 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.146 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.414 HG22 ' O ' ' A' ' 105' ' ' ARG . 22.9 p -89.39 -34.83 16.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.104 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -96.49 -16.76 20.96 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.835 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 79.83 -14.52 18.94 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.48 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 97.1 t -61.03 -70.54 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.877 0.37 . . . . 0.0 111.139 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.539 HD23 ' O ' ' A' ' 52' ' ' LEU . 1.6 tt -54.17 -34.57 60.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.97 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.74 HD11 HD11 ' A' ' 57' ' ' ILE . 2.3 tp -58.68 -48.45 81.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.938 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.38 -39.57 94.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.075 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.455 ' O ' HG23 ' A' ' 59' ' ' VAL . 63.6 mt-30 -46.6 -23.95 0.47 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.924 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.689 HD11 HD11 ' A' ' 40' ' ' ILE . 10.6 mt -95.12 -53.39 8.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.104 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.74 HD11 HD11 ' A' ' 53' ' ' LEU . 67.2 mt -48.58 -51.77 10.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.151 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -56.54 -22.45 33.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.455 HG23 ' O ' ' A' ' 55' ' ' GLN . 85.6 t -88.08 -59.74 2.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.103 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 6.3 p -59.31 -27.08 35.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.135 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -99.24 -14.17 19.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.142 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 8.5 m120 58.63 48.15 12.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.936 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -147.06 160.56 42.25 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 19.7 ttpt -110.38 130.09 55.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.917 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.45 HG12 ' CD2' ' A' ' 88' ' ' PHE . 31.8 mt -94.64 103.16 14.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.138 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -72.94 -13.27 61.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.452 ' O ' ' CB ' ' A' ' 84' ' ' ALA . 28.9 m-20 -92.11 36.16 0.98 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.844 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.444 HG12 ' CG2' ' A' ' 65' ' ' ILE . 35.4 mm -114.06 132.5 62.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.085 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -64.14 -52.47 58.92 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.918 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 93.63 -49.43 2.32 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.478 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 36.2 m -134.08 82.91 47.03 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.602 0.715 . . . . 0.0 110.874 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 138.63 38.34 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.703 2.269 . . . . 0.0 112.38 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 68.9 mttt -115.57 -47.14 2.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.925 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.416 ' O ' ' C ' ' A' ' 75' ' ' ARG . 28.7 t-20 -101.07 139.98 36.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.873 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.416 ' C ' ' O ' ' A' ' 74' ' ' ASN . 5.4 mmt-85 -35.73 -46.65 0.45 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.847 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.448 ' O ' ' N ' ' A' ' 79' ' ' ILE . 9.7 p -60.61 -48.31 82.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.859 -179.779 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.412 ' N ' ' O ' ' A' ' 74' ' ' ASN . 15.2 mm100 -43.51 -22.84 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.932 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.413 ' N ' ' O ' ' A' ' 76' ' ' SER . 8.7 mtt -79.83 -38.14 33.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.857 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.472 ' CD1' ' HD3' ' A' ' 105' ' ' ARG . 3.5 mm -49.67 -50.28 18.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.107 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -54.35 -53.4 54.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.864 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -40.56 -68.71 0.16 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 24.6 mt -53.64 -40.07 40.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.163 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -54.65 -51.99 63.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.828 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.452 ' CB ' ' O ' ' A' ' 67' ' ' ASP . . . -54.19 -44.68 71.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.095 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 71.9 m -59.18 -39.4 82.4 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.878 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 87.9 mt -64.62 -55.47 20.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 70.0 m-80 -59.77 -31.12 69.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.597 ' CD1' ' C ' ' A' ' 88' ' ' PHE . 0.5 OUTLIER -71.84 -40.68 68.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.896 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.4 HD22 ' CD1' ' A' ' 94' ' ' ILE . 57.8 mt -68.41 -40.07 81.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.92 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -54.7 -37.68 66.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.069 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -65.29 -20.05 66.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.071 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.504 ' HB3' ' CE1' ' A' ' 122' ' ' TYR . 41.5 mmtt -90.18 -17.41 27.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.881 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 111.54 37.21 1.63 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.489 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.686 HD11 ' HB2' ' A' ' 122' ' ' TYR . 71.0 mt -120.04 135.21 61.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.838 0.351 . . . . 0.0 111.109 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -71.62 129.52 38.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.443 ' O ' ' C ' ' A' ' 97' ' ' GLN . 37.2 pt -128.32 -28.65 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.145 179.856 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.443 ' C ' ' O ' ' A' ' 96' ' ' ILE . 59.1 mt-30 -34.5 -51.18 0.46 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.92 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -61.85 -42.4 99.74 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.527 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.442 ' N ' ' O ' ' A' ' 96' ' ' ILE . 51.6 mt -68.4 137.44 54.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.791 0.329 . . . . 0.0 110.931 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.447 ' CB ' ' HG3' ' A' ' 103' ' ' GLU . 1.1 m -121.64 123.0 40.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.874 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -51.95 -46.53 64.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.099 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -56.71 -42.37 79.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.901 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.447 ' HG3' ' CB ' ' A' ' 100' ' ' SER . 18.0 mt-10 -71.01 -43.53 67.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.881 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 73.1 mt -63.74 -37.84 80.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.121 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.472 ' HD3' ' CD1' ' A' ' 79' ' ' ILE . 14.5 ttt-85 -67.49 -38.12 83.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.931 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 22.5 m-80 -66.57 -27.98 68.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.904 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 100.1 30.02 6.54 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.487 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' ASN . . . . . 0.712 ' O ' HD12 ' A' ' 112' ' ' ILE . 27.8 t30 -74.17 102.91 4.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.868 0.366 . . . . 0.0 110.917 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.52 HD13 ' NE2' ' A' ' 44' ' ' GLN . 8.5 tp -35.9 -52.44 0.73 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.931 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 13.3 mmtp -51.21 -41.95 60.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.885 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' ALA . . . . . 0.479 ' N ' ' O ' ' A' ' 108' ' ' ASN . . . -68.92 -56.02 9.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.116 179.813 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.712 HD12 ' O ' ' A' ' 108' ' ' ASN . 5.3 mp -53.61 -65.9 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.137 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.607 HD11 ' O ' ' A' ' 16' ' ' LEU . 58.4 mt -39.16 -41.47 0.84 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.917 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -59.71 -40.16 96.19 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.463 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 1.034 HD23 ' N ' ' A' ' 116' ' ' PHE . 0.2 OUTLIER -64.57 -60.98 2.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.861 0.363 . . . . 0.0 110.904 -179.883 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 1.034 ' N ' HD23 ' A' ' 115' ' ' LEU . 12.0 m-85 -63.41 -12.49 31.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.867 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 117' ' ' PHE . . . . . 0.486 ' CD1' ' C ' ' A' ' 117' ' ' PHE . 3.5 t80 -79.68 -36.93 36.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.842 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 118' ' ' SER . . . . . 0.444 ' OG ' ' CG2' ' A' ' 94' ' ' ILE . 7.9 p -93.0 -37.67 12.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.824 -179.771 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 9.4 tp -54.94 -47.95 73.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.927 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 89.2 p -56.62 -37.35 70.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.833 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 47.1 mtp85 -59.09 -46.61 87.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.862 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' TYR . . . . . 0.686 ' HB2' HD11 ' A' ' 94' ' ' ILE . 9.6 t80 -42.74 -56.04 3.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 -179.871 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 123' ' ' LYS . . . . . 0.436 ' O ' ' C ' ' A' ' 124' ' ' GLN . 11.3 tptp -74.17 -53.58 9.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.889 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 124' ' ' GLN . . . . . 0.436 ' C ' ' O ' ' A' ' 123' ' ' LYS . 73.3 mt-30 -34.47 -41.75 0.13 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.927 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -75.11 -54.11 7.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.908 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 18.6 mm-40 -77.49 85.54 3.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.927 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -156.12 150.18 25.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.901 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 16.0 mp0 -64.33 144.73 98.46 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.628 0.728 . . . . 0.0 110.913 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--N 1.341 0.168 0 C-N-CA 122.693 2.262 . . . . 0.0 112.372 179.99 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.454 -0.258 . . . . 0.0 112.454 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.3 p -129.13 -44.21 1.29 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.912 0.387 . . . . 0.0 110.867 -179.723 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.5 t -161.03 163.14 31.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.861 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 112.25 -120.96 5.49 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.483 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.4 m -92.16 113.27 25.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.926 0.393 . . . . 0.0 110.834 -179.763 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.9 p -106.78 -47.37 3.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.872 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 95.14 69.93 1.06 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.485 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.7 ttmp? -108.2 135.88 48.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.738 0.304 . . . . 0.0 110.91 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 15.8 ptp180 -84.76 104.47 14.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.812 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 19.2 ttmt -141.41 140.23 20.27 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.567 0.699 . . . . 0.0 110.905 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 109.16 2.24 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.617 2.211 . . . . 0.0 112.323 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 4.2 p -127.87 137.61 57.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.096 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.2 mp -89.03 -30.06 5.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.165 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.999 ' CG ' HD11 ' A' ' 22' ' ' ILE . 12.7 m-70 60.0 49.5 7.57 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.891 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.473 ' N ' ' HB2' ' A' ' 18' ' ' ASP . . . -38.08 158.13 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.498 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.431 ' C ' ' O ' ' A' ' 15' ' ' GLY . 15.3 mt -35.34 -56.66 0.62 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.761 0.315 . . . . 0.0 110.949 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.42 ' HA ' HD21 ' A' ' 109' ' ' LEU . 4.6 mp0 -62.16 -41.24 98.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.849 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.473 ' HB2' ' N ' ' A' ' 15' ' ' GLY . 1.1 m-20 -61.73 -31.33 71.49 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.833 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.857 ' HA ' HD12 ' A' ' 22' ' ' ILE . 26.8 mt-30 -64.29 -42.24 96.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.848 -179.856 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.628 ' HB2' HD11 ' A' ' 109' ' ' LEU . 47.3 tttt -46.35 -42.19 14.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.913 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 18.2 ttm-85 -64.73 -54.35 32.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.892 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.999 HD11 ' CG ' ' A' ' 14' ' ' HIS . 39.1 mt -40.97 -52.4 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.135 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.568 ' HB2' HD22 ' A' ' 43' ' ' LEU . 30.0 m-85 -68.59 -49.0 62.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.92 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 51.9 m -41.45 -49.16 3.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.181 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -73.32 -37.46 66.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.887 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 86.4 t90 -56.97 -42.07 79.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.94 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.851 ' HB1' HG12 ' A' ' 56' ' ' ILE . . . -71.06 -40.54 71.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.119 179.851 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.859 ' OD1' HD22 ' A' ' 39' ' ' LEU . 2.0 m-80 -49.85 -47.1 51.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.914 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -46.2 -38.0 7.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.822 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.469 ' HA ' ' CD ' ' A' ' 33' ' ' LYS . 96.0 m-85 -79.54 -22.7 43.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.895 -179.847 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.695 HD22 ' ND1' ' A' ' 36' ' ' HIS . 14.2 mt -79.4 -57.24 3.8 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.887 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -57.84 -48.7 79.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.087 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.469 ' CD ' ' HA ' ' A' ' 30' ' ' TYR . 16.4 ptmt -50.35 -37.14 35.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 19.5 m -91.76 33.06 1.05 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.852 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 46.58 59.98 5.05 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.475 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.695 ' ND1' HD22 ' A' ' 31' ' ' LEU . 52.1 t-80 -121.19 87.19 2.71 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.882 0.373 . . . . 0.0 110.875 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 36' ' ' HIS . 1.2 mmmm -38.25 -74.78 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.927 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 21.5 ttm180 -38.35 150.21 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.889 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.859 HD22 ' OD1' ' A' ' 28' ' ' ASN . 52.7 mt -131.54 -178.93 5.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.927 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.459 HD11 HD11 ' A' ' 56' ' ' ILE . 80.3 mt -99.12 117.16 43.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.155 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 55.9 mtm180 -88.43 -63.03 1.36 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.86 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.47 ' O ' ' N ' ' A' ' 45' ' ' GLN . 72.4 m-20 -114.93 98.28 6.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.855 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 1.054 HD11 ' CE2' ' A' ' 116' ' ' PHE . 16.9 tp -40.99 -25.03 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.441 ' N ' ' O ' ' A' ' 42' ' ' ASP . 26.1 mt-30 -77.14 -40.64 44.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.921 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.678 ' HA ' HG23 ' A' ' 48' ' ' THR . 54.4 mm-40 -83.57 -47.58 11.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.922 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.944 ' OD1' HG13 ' A' ' 47' ' ' VAL . 0.5 OUTLIER -48.66 -19.02 0.31 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.836 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.944 HG13 ' OD1' ' A' ' 46' ' ' ASP . 18.5 m -115.35 39.67 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.097 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.678 HG23 ' HA ' ' A' ' 45' ' ' GLN . 14.3 p -97.5 -30.24 13.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.122 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.463 ' O ' ' CB ' ' A' ' 81' ' ' ASN . 0.9 OUTLIER -104.07 -16.22 15.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.883 179.898 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 82.88 -17.17 23.18 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.536 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 93.3 t -64.74 -59.21 4.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.805 0.336 . . . . 0.0 111.131 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.619 HD13 ' HB2' ' A' ' 46' ' ' ASP . 1.2 tt -62.61 -34.03 76.2 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.957 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.699 HD11 HD11 ' A' ' 57' ' ' ILE . 1.4 tp -58.81 -47.25 85.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.959 179.826 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.487 ' O ' ' N ' ' A' ' 56' ' ' ILE . . . -64.59 -43.05 95.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.131 179.761 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.508 ' O ' HG23 ' A' ' 59' ' ' VAL . 29.9 mt-30 -36.69 -29.57 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.915 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.851 HG12 ' HB1' ' A' ' 27' ' ' ALA . 4.8 mp -92.3 -50.89 12.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.144 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.699 HD11 HD11 ' A' ' 53' ' ' LEU . 72.7 mt -50.47 -55.31 6.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.139 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 -52.33 -31.81 35.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.984 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.508 HG23 ' O ' ' A' ' 55' ' ' GLN . 76.7 t -76.42 -68.45 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.126 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.427 ' CG2' ' HD3' ' A' ' 123' ' ' LYS . 11.9 p -51.68 -31.63 13.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.082 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -89.77 -15.14 33.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.134 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 72.9 m-20 59.46 33.6 22.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.837 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -137.58 162.67 33.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.89 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 18.5 ttpp -111.27 137.06 49.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.89 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.462 ' HB ' ' CG1' ' A' ' 68' ' ' ILE . 18.2 mt -97.25 117.39 41.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.15 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -81.83 -18.19 44.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.509 ' O ' ' HB2' ' A' ' 84' ' ' ALA . 11.8 m-20 -86.82 36.74 0.73 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.855 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.462 ' CG1' ' HB ' ' A' ' 65' ' ' ILE . 36.3 mm -113.35 103.35 15.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.119 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -40.47 -47.34 2.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.855 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 99.54 -57.82 0.84 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.524 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 6.9 t -130.64 82.4 64.92 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.595 0.712 . . . . 0.0 110.907 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 119.25 6.23 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.674 2.249 . . . . 0.0 112.356 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 37.9 mttp -105.35 -50.76 3.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.883 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.464 ' HB2' ' CG ' ' A' ' 77' ' ' GLN . 10.4 m-20 -71.74 165.6 23.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.871 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -65.63 -48.22 72.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.907 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 3.9 m -71.61 -34.13 69.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.896 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.464 ' CG ' ' HB2' ' A' ' 74' ' ' ASN . 6.6 mm100 -42.91 -49.53 5.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.952 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 13.0 mtt -53.06 -47.73 68.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.861 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 49.4 mm -38.35 -62.06 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.153 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.422 ' O ' ' C ' ' A' ' 81' ' ' ASN . 11.4 mt-10 -38.48 -57.79 1.1 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.463 ' CB ' ' O ' ' A' ' 49' ' ' ASP . 2.4 m120 -36.56 -70.18 0.1 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.864 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 27.8 mt -52.4 -40.7 33.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.144 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -53.58 -48.11 69.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.849 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.509 ' HB2' ' O ' ' A' ' 67' ' ' ASP . . . -52.3 -51.12 60.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.082 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 38.6 m -54.49 -45.75 73.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.927 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 60.1 mt -57.43 -53.66 55.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 70.1 m-80 -63.26 -36.25 83.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.893 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.472 ' CZ ' ' HE3' ' A' ' 92' ' ' LYS . 16.7 t80 -62.38 -45.55 92.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.655 HD21 HD13 ' A' ' 119' ' ' LEU . 75.6 mt -61.63 -51.61 67.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.931 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -46.81 -51.95 15.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.097 179.779 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -54.83 -31.68 59.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.128 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.472 ' HE3' ' CZ ' ' A' ' 88' ' ' PHE . 70.0 mmtt -76.09 -17.48 59.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.904 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 109.7 38.21 1.77 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.486 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.764 HD11 ' HB2' ' A' ' 122' ' ' TYR . 70.3 mt -122.29 123.01 67.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.784 0.326 . . . . 0.0 111.144 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 -66.32 115.5 6.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 32.0 pt -108.89 -25.94 3.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.116 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 13.5 mt-30 -37.85 116.46 0.5 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.937 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 126.38 -36.54 2.66 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.514 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 71.5 mt -65.42 176.31 1.46 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.816 0.341 . . . . 0.0 110.914 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 18.1 m -152.41 107.87 3.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.856 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -47.6 -43.79 25.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.089 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -57.98 -54.42 47.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.927 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 38.1 mm-40 -51.91 -46.32 64.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.888 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.424 HG22 ' O ' ' A' ' 47' ' ' VAL . 23.6 mt -57.84 -43.77 84.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.135 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 16.0 ttt-85 -63.59 -23.36 67.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.846 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 -85.19 -18.68 33.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 91.78 33.24 7.99 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.535 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' ASN . . . . . 0.673 ' O ' HD12 ' A' ' 112' ' ' ILE . 25.4 t-20 -77.45 97.91 5.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.83 0.348 . . . . 0.0 110.874 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.628 HD11 ' HB2' ' A' ' 20' ' ' LYS . 9.8 tp -37.09 -63.26 0.44 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.926 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 2.8 mmmp? -40.15 -38.83 0.81 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 179.804 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' ALA . . . . . 0.404 ' N ' ' O ' ' A' ' 108' ' ' ASN . . . -71.26 -63.75 1.05 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.115 179.845 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.689 ' H ' HD12 ' A' ' 112' ' ' ILE . 5.2 mp -47.83 -63.21 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.14 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.43 ' C ' ' O ' ' A' ' 112' ' ' ILE . 67.2 mt -35.3 -49.54 0.51 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.938 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -54.29 -52.47 44.04 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.487 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.926 HD23 ' N ' ' A' ' 116' ' ' PHE . 0.1 OUTLIER -52.23 -55.49 20.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.849 0.357 . . . . 0.0 110.917 -179.936 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 1.054 ' CE2' HD11 ' A' ' 43' ' ' LEU . 10.6 m-85 -66.73 -19.21 65.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 12.4 t80 -73.84 -34.22 64.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.868 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 33.5 p -92.77 -40.54 10.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.867 -179.787 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.655 HD13 HD21 ' A' ' 89' ' ' LEU . 15.9 tp -57.44 -48.27 79.59 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.897 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 6.4 t -52.79 -37.0 59.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.841 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 51.6 mtp180 -61.94 -50.39 72.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.841 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' TYR . . . . . 0.764 ' HB2' HD11 ' A' ' 94' ' ' ILE . 0.1 OUTLIER -43.98 -33.59 1.45 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 -179.853 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 123' ' ' LYS . . . . . 0.427 ' HD3' ' CG2' ' A' ' 60' ' ' VAL . 15.9 tptp -73.93 -48.29 31.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.927 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -76.58 6.96 5.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.926 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -104.01 -49.75 3.55 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.888 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -60.9 -12.27 10.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.898 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -58.83 154.11 15.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.943 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 6.2 pm0 -87.25 143.95 35.33 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.568 0.699 . . . . 0.0 110.949 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--N 1.341 0.175 0 C-N-CA 122.685 2.256 . . . . 0.0 112.38 179.979 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 40.3 m -110.69 84.02 1.86 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.91 0.386 . . . . 0.0 110.87 -179.752 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.0 t -114.41 160.49 19.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.825 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -166.47 47.52 0.26 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.521 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.2 m -125.7 139.76 53.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.838 0.352 . . . . 0.0 110.892 -179.713 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.1 m -154.83 176.96 11.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.824 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 137.45 -102.28 0.37 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.502 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 75.6 mttt -109.72 136.2 49.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.762 0.315 . . . . 0.0 110.898 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 53.1 mtt-85 -135.18 107.52 7.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.892 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.9 mtmp? -61.52 147.6 87.86 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.576 0.703 . . . . 0.0 110.94 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 128.6 16.3 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.711 2.274 . . . . 0.0 112.322 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.4 p -137.13 148.11 26.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.102 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 4.0 mt -105.56 142.59 18.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.109 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.849 ' CD2' HD11 ' A' ' 22' ' ' ILE . 23.6 m80 -113.32 85.33 2.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.863 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.456 ' O ' ' N ' ' A' ' 18' ' ' ASP . . . -47.89 160.42 0.5 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.494 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.43 ' C ' ' O ' ' A' ' 15' ' ' GLY . 71.4 mt -35.71 -50.74 0.64 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.784 0.326 . . . . 0.0 110.893 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -62.84 -42.85 99.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.456 ' N ' ' O ' ' A' ' 15' ' ' GLY . 6.8 m-20 -60.81 -38.64 86.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.87 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 44.3 mt-30 -57.49 -45.52 84.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.917 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.407 ' HB2' HD11 ' A' ' 109' ' ' LEU . 63.7 tttt -42.44 -48.41 5.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.906 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.09 -54.17 45.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.893 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.849 HD11 ' CD2' ' A' ' 14' ' ' HIS . 86.7 mt -41.58 -52.69 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.119 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.561 ' HB2' HD22 ' A' ' 43' ' ' LEU . 27.3 m-85 -68.57 -49.51 58.88 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.869 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 55.4 m -42.98 -45.36 5.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.168 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -73.78 -38.09 64.76 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.829 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 89.1 t90 -56.82 -44.73 82.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.918 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.501 ' HB1' HG12 ' A' ' 56' ' ' ILE . . . -74.56 -45.5 44.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.086 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 34.7 m-20 -46.24 -40.79 12.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.859 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -53.05 -41.34 64.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.854 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.546 ' HB2' HG23 ' A' ' 56' ' ' ILE . 95.7 m-85 -74.24 -21.58 59.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.893 -179.817 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.558 HD11 HD21 ' A' ' 52' ' ' LEU . 18.7 mt -83.84 -36.84 23.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.948 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -77.82 -25.37 48.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.082 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 13.7 ptmt -75.09 -34.56 61.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.912 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.7 t -91.87 27.24 2.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 51.59 66.4 2.57 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.522 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.41 ' CB ' ' O ' ' A' ' 31' ' ' LEU . 6.7 t-80 -120.66 95.32 4.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.905 0.383 . . . . 0.0 110.848 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 31.4 mtpt -43.19 -61.29 1.37 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.451 ' HG2' ' N ' ' A' ' 39' ' ' LEU . 6.0 ttt180 -58.16 144.05 41.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.879 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.451 ' N ' ' HG2' ' A' ' 38' ' ' ARG . 37.3 mt -123.56 -175.74 3.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.907 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 91.7 mt -100.93 120.58 50.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.098 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 4.9 mpt_? -94.46 -64.77 1.04 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.855 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.455 ' O ' ' N ' ' A' ' 45' ' ' GLN . 0.9 OUTLIER -112.53 98.33 7.18 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.848 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.779 HD11 ' CE2' ' A' ' 116' ' ' PHE . 13.0 tp -42.23 -23.48 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.92 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.485 ' CD ' HD13 ' A' ' 109' ' ' LEU . 31.8 mt-30 -77.45 -40.12 44.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.902 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.792 ' HA ' HG23 ' A' ' 48' ' ' THR . 27.5 mt-30 -86.17 -48.24 8.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.936 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.786 ' OD1' HG13 ' A' ' 47' ' ' VAL . 0.5 OUTLIER -42.32 -23.64 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 179.924 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.786 HG13 ' OD1' ' A' ' 46' ' ' ASP . 26.2 m -114.76 42.74 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.146 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.792 HG23 ' HA ' ' A' ' 45' ' ' GLN . 3.1 p -91.46 -35.72 14.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.165 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -106.22 -12.23 15.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.873 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 86.9 -25.4 7.6 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.47 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 66.1 t -50.58 -70.35 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.882 0.372 . . . . 0.0 111.143 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.612 ' O ' HD12 ' A' ' 56' ' ' ILE . 1.8 tt -53.06 -35.88 60.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.96 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.697 ' HB2' HG12 ' A' ' 47' ' ' VAL . 1.7 tp -59.75 -47.01 87.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.932 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -67.62 -34.6 77.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.113 179.784 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -46.7 -27.44 1.18 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.951 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.612 HD12 ' O ' ' A' ' 52' ' ' LEU . 5.3 mp -94.57 -58.66 3.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.185 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.662 HD11 HD11 ' A' ' 53' ' ' LEU . 59.3 mt -37.84 -50.92 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.123 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.414 ' O ' ' N ' ' A' ' 62' ' ' ASN . 37.5 mt-30 -54.64 -43.6 72.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.929 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.402 ' N ' ' O ' ' A' ' 56' ' ' ILE . 65.8 t -68.18 -64.13 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.111 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 8.1 p -52.89 -32.64 18.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.147 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -89.55 -19.42 25.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.109 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.414 ' N ' ' O ' ' A' ' 58' ' ' GLN . 6.9 m120 66.64 37.36 4.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.905 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -143.88 166.94 23.53 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 4.4 ttpp -117.17 131.43 56.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.89 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.423 ' HB ' ' CG1' ' A' ' 68' ' ' ILE . 22.4 mt -91.98 117.47 35.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.132 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -82.31 -15.18 53.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.921 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -89.14 35.43 0.8 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.87 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.423 ' CG1' ' HB ' ' A' ' 65' ' ' ILE . 34.9 mm -113.74 111.09 34.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.149 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -48.54 -57.1 6.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.856 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 115.89 -59.92 0.43 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.482 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 92.0 m -134.17 72.14 71.89 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.631 0.729 . . . . 0.0 110.9 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 132.78 24.07 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.71 2.274 . . . . 0.0 112.334 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.45 ' HG2' ' N ' ' A' ' 74' ' ' ASN . 0.0 OUTLIER -123.67 -34.13 3.09 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.932 179.889 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.45 ' N ' ' HG2' ' A' ' 73' ' ' LYS . 2.5 t-20 -68.9 170.78 9.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.931 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 4.2 tpt180 -61.81 -50.75 71.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.458 ' O ' ' N ' ' A' ' 79' ' ' ILE . 5.1 p -81.74 -31.08 32.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.872 -179.807 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 22.7 mm-40 -40.88 -38.43 0.95 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.954 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.437 ' SD ' ' NH1' ' A' ' 105' ' ' ARG . 20.1 mtt -77.61 -34.84 53.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.884 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.458 ' N ' ' O ' ' A' ' 76' ' ' SER . 21.6 mm -56.55 -54.39 29.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.145 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -42.79 -56.95 2.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.895 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 7.0 m-20 -39.51 -71.26 0.08 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 28.9 mt -47.92 -37.63 6.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.121 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -59.05 -49.53 77.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -51.79 -45.72 63.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.101 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 63.6 m -59.36 -43.17 92.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.712 ' O ' HG21 ' A' ' 96' ' ' ILE . 81.8 mt -63.29 -45.02 93.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.918 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 70.4 m-80 -69.81 -35.79 75.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.853 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 6.1 t80 -67.67 -40.49 84.45 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.857 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 89.8 mt -69.26 -42.85 75.03 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.909 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -52.62 -46.51 67.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.119 179.766 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -56.17 -18.84 11.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.131 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 36.2 mmtt -88.63 -17.48 30.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 112.64 29.08 3.24 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.477 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.783 HD11 ' HB2' ' A' ' 122' ' ' TYR . 71.6 mt -112.88 137.81 44.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.856 0.36 . . . . 0.0 111.101 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 22.7 t-20 -73.55 124.83 26.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.712 HG21 ' O ' ' A' ' 86' ' ' LEU . 32.6 pt -123.0 -31.35 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.187 179.875 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.45 ' C ' ' O ' ' A' ' 96' ' ' ILE . 29.9 mm-40 -34.65 -51.37 0.48 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.902 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -56.25 -45.66 87.8 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.481 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.411 ' N ' ' O ' ' A' ' 96' ' ' ILE . 43.9 mt -58.34 170.09 0.77 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.799 0.333 . . . . 0.0 110.934 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 12.8 m -149.28 112.32 4.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.844 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -47.74 -52.13 19.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.055 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -50.0 -57.43 7.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.863 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -49.96 -55.91 12.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.857 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.465 HG22 ' O ' ' A' ' 47' ' ' VAL . 27.8 mt -48.18 -44.86 12.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.137 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.437 ' NH1' ' SD ' ' A' ' 78' ' ' MET . 3.6 ttt85 -59.48 -33.32 71.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.87 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 37.6 m-20 -75.25 -16.85 60.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.952 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 87.24 26.96 29.33 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.517 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' ASN . . . . . 0.757 ' O ' HD12 ' A' ' 112' ' ' ILE . 42.2 t30 -71.39 100.39 2.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.893 0.377 . . . . 0.0 110.877 -179.86 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.485 HD13 ' CD ' ' A' ' 44' ' ' GLN . 8.6 tp -37.38 -61.54 0.58 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.931 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.418 ' C ' ' O ' ' A' ' 109' ' ' LEU . 11.3 mmtp -36.81 -40.25 0.26 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.915 179.807 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -73.64 -68.33 0.52 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.1 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.774 ' H ' HD12 ' A' ' 112' ' ' ILE . 5.2 mp -41.8 -54.26 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.151 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 92.8 mt -45.73 -51.38 12.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.935 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -54.51 -47.11 71.27 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.519 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 1.03 HD23 ' N ' ' A' ' 116' ' ' PHE . 0.1 OUTLIER -55.78 -60.6 3.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.839 0.352 . . . . 0.0 110.935 -179.948 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 1.03 ' N ' HD23 ' A' ' 115' ' ' LEU . 11.4 m-85 -63.12 -25.12 68.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 117' ' ' PHE . . . . . 0.48 ' CD1' ' C ' ' A' ' 117' ' ' PHE . 3.1 t80 -71.1 -29.4 65.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.904 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 6.8 p -95.0 -40.46 9.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.829 -179.775 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 15.9 tp -59.51 -49.46 77.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.942 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 58.9 p -51.72 -30.5 22.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 25.5 mtt-85 -71.55 -41.9 68.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.847 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' TYR . . . . . 0.783 ' HB2' HD11 ' A' ' 94' ' ' ILE . 2.2 t80 -47.48 -48.39 27.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.938 -179.843 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 12.3 tptp -76.36 -59.09 2.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.943 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -49.63 124.35 9.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.906 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 71.72 36.27 1.26 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.921 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 19.1 tp60 -121.52 49.36 1.54 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.938 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -74.75 99.97 3.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 22.8 mm-40 -40.62 144.29 0.61 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.609 0.719 . . . . 0.0 110.914 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 C--N 1.341 0.151 0 C-N-CA 122.757 2.305 . . . . 0.0 112.326 179.999 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.499 -0.241 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.3 t -44.52 143.43 1.32 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.895 0.378 . . . . 0.0 110.865 -179.731 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.3 m -47.76 157.86 0.24 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.858 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -146.73 -80.32 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.439 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.5 m -49.89 115.45 1.4 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.894 0.378 . . . . 0.0 110.832 -179.729 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 96.8 p -129.89 139.37 51.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.862 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 132.49 91.62 0.5 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.481 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.11 90.62 8.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.779 0.323 . . . . 0.0 110.931 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 57.1 mtp180 56.68 42.3 27.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.907 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 22.5 mtmm -113.39 141.48 25.92 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.575 0.702 . . . . 0.0 110.888 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 147.43 62.64 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.667 2.245 . . . . 0.0 112.359 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 10.6 p -153.59 139.33 11.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.099 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 38.5 mm -105.07 138.33 30.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.151 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.514 ' CG ' HD11 ' A' ' 22' ' ' ILE . 66.6 m80 -100.42 78.49 2.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 16' ' ' LEU . . . -47.02 168.52 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.488 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.407 ' C ' ' O ' ' A' ' 15' ' ' GLY . 65.9 mt -37.54 -55.94 1.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.745 0.307 . . . . 0.0 110.895 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -55.79 -44.01 77.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.413 ' HB2' ' C ' ' A' ' 14' ' ' HIS . 1.4 m-20 -65.68 -29.5 70.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.831 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.438 ' HA ' HD12 ' A' ' 22' ' ' ILE . 26.6 mt-30 -67.7 -47.02 70.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.92 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 24.1 tttt -40.6 -48.16 2.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.944 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 5.2 tpt180 -62.92 -56.16 19.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.514 HD11 ' CG ' ' A' ' 14' ' ' HIS . 96.8 mt -38.72 -49.79 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.086 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 -70.76 -37.95 73.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.898 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.5 ' O ' ' ND2' ' A' ' 28' ' ' ASN . 49.3 m -54.03 -50.29 67.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.108 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -68.19 -40.49 82.22 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.883 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 78.6 t90 -52.48 -48.68 65.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.93 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.807 ' HB1' HG12 ' A' ' 56' ' ' ILE . . . -68.3 -44.13 76.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.126 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.927 ' OD1' HD22 ' A' ' 39' ' ' LEU . 1.7 m-80 -43.89 -41.72 5.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.907 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -53.55 -47.58 69.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 85.8 m-85 -67.77 -14.59 63.08 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.902 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.553 HD11 HD21 ' A' ' 52' ' ' LEU . 17.5 mt -89.66 -57.45 2.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.878 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.47 -21.86 60.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.095 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 10.9 ptmt -79.03 -39.56 33.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.932 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.2 m -81.18 1.78 30.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 80.7 65.37 1.72 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.508 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.443 ' CD2' HD22 ' A' ' 31' ' ' LEU . 12.5 m80 -117.13 148.94 41.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.838 0.351 . . . . 0.0 110.887 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.8 pttp -105.71 -17.85 14.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.949 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 14.0 ttm105 -101.54 129.1 47.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.855 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.927 HD22 ' OD1' ' A' ' 28' ' ' ASN . 80.6 mt -109.51 171.28 7.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.935 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.534 HG23 ' CB ' ' A' ' 46' ' ' ASP . 95.8 mt -91.5 110.74 22.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.141 179.837 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 14.5 mtp180 -87.86 -57.45 2.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.861 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -114.74 100.09 7.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.844 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.851 HD11 ' CE2' ' A' ' 116' ' ' PHE . 12.0 tp -50.0 -21.31 1.18 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.897 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.565 ' CD ' HD13 ' A' ' 109' ' ' LEU . 5.8 mt-30 -84.5 -28.95 26.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 71.2 mt-30 -109.83 8.79 24.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.937 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.621 ' OD1' HG13 ' A' ' 47' ' ' VAL . 0.3 OUTLIER -95.21 -35.0 12.01 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.873 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.658 HG12 ' HB2' ' A' ' 53' ' ' LEU . 34.5 m -101.76 29.31 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.115 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 7.6 p -83.62 -32.91 25.45 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.118 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -97.31 -16.36 20.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.851 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 78.04 -10.46 26.78 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.527 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 42.6 t -68.95 -70.6 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.927 0.394 . . . . 0.0 111.169 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.589 HD23 ' O ' ' A' ' 52' ' ' LEU . 1.7 tt -51.71 -31.15 25.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.958 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.658 ' HB2' HG12 ' A' ' 47' ' ' VAL . 2.1 tp -62.34 -50.37 71.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.876 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.03 -46.02 92.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.145 179.788 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.814 ' O ' HG23 ' A' ' 59' ' ' VAL . 45.4 mt-30 -39.4 -39.64 0.7 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.885 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.807 HG12 ' HB1' ' A' ' 27' ' ' ALA . 3.6 mp -78.43 -51.04 18.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.139 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.642 HD11 HD11 ' A' ' 53' ' ' LEU . 41.9 mt -50.61 -53.11 14.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.1 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -55.08 -17.1 3.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.814 HG23 ' O ' ' A' ' 55' ' ' GLN . 30.2 t -93.26 -59.18 3.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.123 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.406 HG12 ' HA ' ' A' ' 57' ' ' ILE . 7.2 p -59.92 -24.75 30.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.155 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -100.18 -16.85 17.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.039 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 71.2 m-80 62.38 48.45 4.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.841 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -151.1 160.32 43.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 22.1 tttt -110.69 138.06 47.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.867 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.44 ' HB ' ' CG1' ' A' ' 68' ' ' ILE . 20.7 mt -100.65 115.12 41.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.138 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -78.51 -23.57 46.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.935 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.459 ' HB3' ' HB1' ' A' ' 84' ' ' ALA . 2.3 t70 -82.47 41.12 0.69 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.836 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.44 ' CG1' ' HB ' ' A' ' 65' ' ' ILE . 33.8 mm -118.03 110.32 30.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.129 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -49.66 -68.29 0.19 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.905 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 132.11 -71.12 0.51 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.484 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 74.8 m -128.19 81.46 70.43 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.548 0.69 . . . . 0.0 110.876 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 141.96 46.59 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.708 2.272 . . . . 0.0 112.318 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.465 ' HD2' ' N ' ' A' ' 73' ' ' LYS . 0.0 OUTLIER -124.43 -37.24 2.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.927 179.873 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.471 ' HB2' ' CG ' ' A' ' 77' ' ' GLN . 9.0 m-20 -77.73 -179.85 6.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 1.5 tmt_? -70.71 -55.6 8.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.493 ' O ' ' N ' ' A' ' 79' ' ' ILE . 10.5 t -71.0 -34.73 71.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.846 -179.767 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.471 ' CG ' ' HB2' ' A' ' 74' ' ' ASN . 6.1 mm-40 -40.31 -37.16 0.62 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.894 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 17.6 mtt -80.32 -32.96 37.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.907 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.493 ' N ' ' O ' ' A' ' 76' ' ' SER . 26.4 mm -52.19 -46.62 44.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.165 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.434 ' O ' ' C ' ' A' ' 81' ' ' ASN . 12.2 mt-10 -51.25 -63.7 1.05 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.882 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.434 ' C ' ' O ' ' A' ' 80' ' ' GLU . 57.2 m-80 -35.62 -72.53 0.05 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.838 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 61.2 mt -48.86 -36.6 8.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.181 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -60.85 -49.31 77.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.916 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.459 ' HB1' ' HB3' ' A' ' 67' ' ' ASP . . . -54.0 -42.91 69.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.085 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 62.4 m -61.98 -38.2 87.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.482 ' O ' HG21 ' A' ' 96' ' ' ILE . 83.3 mt -66.72 -50.12 63.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.902 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 68.6 m-80 -66.37 -33.43 75.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.906 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.452 ' CD1' ' C ' ' A' ' 88' ' ' PHE . 1.4 t80 -70.84 -40.11 72.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.873 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.586 HD22 HD12 ' A' ' 94' ' ' ILE . 27.3 mt -72.03 -42.02 66.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.935 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -52.85 -38.08 61.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.058 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -66.26 -21.34 66.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.096 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 39.6 mmtt -86.54 -18.54 31.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.882 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 114.51 32.73 1.88 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.471 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.761 HD11 ' CB ' ' A' ' 122' ' ' TYR . 78.4 mt -117.45 123.02 71.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.854 0.359 . . . . 0.0 111.094 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 16.6 t-20 -60.37 133.39 56.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.911 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.482 HG21 ' O ' ' A' ' 86' ' ' LEU . 11.5 pt -128.03 -29.05 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.122 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.44 ' N ' HG13 ' A' ' 96' ' ' ILE . 10.1 mm100 -36.16 -52.54 0.79 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -57.36 -46.11 92.17 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.464 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 66.1 mt -60.04 164.08 4.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.798 0.332 . . . . 0.0 110.933 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 9.8 m -148.25 108.89 4.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.834 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -44.48 -49.6 9.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.129 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -52.74 -51.42 60.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.913 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -57.23 -46.47 82.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.85 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.458 ' CG2' HG23 ' A' ' 47' ' ' VAL . 35.8 mt -58.41 -42.7 84.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.167 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 18.5 ttt-85 -64.56 -30.5 71.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.852 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 16.5 m-20 -75.16 -26.21 58.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.891 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 100.23 18.33 22.09 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.482 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' ASN . . . . . 0.721 ' O ' HD12 ' A' ' 112' ' ' ILE . 4.0 t-20 -67.39 104.56 1.56 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.867 0.365 . . . . 0.0 110.846 -179.844 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.565 HD13 ' CD ' ' A' ' 44' ' ' GLN . 11.6 tp -40.41 -57.63 1.74 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 57.6 mmtt -39.9 -41.03 1.1 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.931 179.801 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -73.96 -63.62 1.18 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.103 179.799 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.726 ' H ' HD12 ' A' ' 112' ' ' ILE . 5.3 mp -47.04 -59.86 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.157 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.456 HD23 ' HA ' ' A' ' 113' ' ' LEU . 13.3 mt -48.16 -46.6 34.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.91 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -56.53 -39.41 84.67 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.462 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 1.015 HD23 ' N ' ' A' ' 116' ' ' PHE . 0.1 OUTLIER -60.28 -60.15 4.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.851 0.358 . . . . 0.0 110.881 -179.877 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 1.015 ' N ' HD23 ' A' ' 115' ' ' LEU . 10.7 m-85 -63.63 -18.34 63.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.878 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 117' ' ' PHE . . . . . 0.5 ' CD1' ' C ' ' A' ' 117' ' ' PHE . 3.1 t80 -71.13 -40.3 71.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 1.6 t -88.38 -44.59 10.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.906 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 14.1 tp -51.84 -44.55 63.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.915 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 86.7 p -59.97 -21.64 61.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 57.3 mtp85 -77.47 -45.55 25.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.836 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' TYR . . . . . 0.761 ' CB ' HD11 ' A' ' 94' ' ' ILE . 0.5 OUTLIER -47.05 -25.51 0.85 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.931 -179.856 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 13.4 tptp -94.83 -58.57 2.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.866 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -53.3 -20.2 4.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.922 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 81.4 mt-30 -85.63 -29.75 23.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.917 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 44.8 mm-40 -87.18 44.87 1.21 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.874 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 3.1 mp0 -46.44 143.11 2.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.918 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -98.84 146.4 31.58 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.615 0.722 . . . . 0.0 110.928 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--O 1.231 0.165 0 C-N-CA 122.731 2.287 . . . . 0.0 112.358 -179.991 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.37 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 t -66.76 -56.38 10.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.873 0.368 . . . . 0.0 110.889 -179.756 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.3 t 62.27 42.22 9.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 94.94 -148.08 18.84 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.482 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 87.4 p -167.39 117.01 0.83 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.863 0.363 . . . . 0.0 110.872 -179.705 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.2 t -85.27 90.29 7.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -119.51 143.45 17.08 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.51 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 27.0 mtpp -57.25 99.79 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.774 0.321 . . . . 0.0 110.911 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.16 -63.86 1.2 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.897 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 23.0 mmtp -115.08 155.97 45.95 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.558 0.694 . . . . 0.0 110.883 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 120.46 7.24 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.689 2.259 . . . . 0.0 112.348 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.493 ' O ' ' CE1' ' A' ' 14' ' ' HIS . 14.6 p -151.55 143.37 16.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.157 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.424 ' CG2' ' N ' ' A' ' 14' ' ' HIS . 4.9 mt -72.36 153.57 7.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.143 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.851 ' CD2' HD11 ' A' ' 22' ' ' ILE . 8.5 m80 -123.35 93.1 3.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.892 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.414 ' N ' ' HB2' ' A' ' 18' ' ' ASP . . . -52.67 178.62 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.499 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.522 ' O ' HD11 ' A' ' 113' ' ' LEU . 87.5 mt -51.8 -48.88 63.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.758 0.313 . . . . 0.0 110.922 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -65.4 -30.8 71.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.845 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.414 ' HB2' ' N ' ' A' ' 15' ' ' GLY . 0.9 OUTLIER -71.48 -42.11 68.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.874 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -54.78 -39.57 68.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.926 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.447 ' N ' HD21 ' A' ' 113' ' ' LEU . 58.9 tttt -48.31 -35.33 12.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.875 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 19.5 ttp180 -78.19 -43.52 28.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.869 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.851 HD11 ' CD2' ' A' ' 14' ' ' HIS . 97.7 mt -52.3 -50.16 38.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.127 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 26.0 m-85 -68.18 -46.56 70.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.931 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 28.3 m -41.95 -50.65 4.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.118 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -67.13 -41.05 86.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.886 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 82.8 t90 -54.85 -46.12 74.61 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.905 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.68 ' HB1' HG12 ' A' ' 56' ' ' ILE . . . -72.66 -45.43 58.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.125 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 35.1 m-20 -47.65 -40.15 19.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.903 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -56.49 -39.89 74.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.855 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -73.27 -22.95 60.27 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.919 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.691 HD11 HD21 ' A' ' 52' ' ' LEU . 14.4 mt -80.32 -53.59 6.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.937 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -57.43 -41.65 80.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.114 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 10.7 ptmt -58.99 -41.55 87.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.892 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 12.3 m -87.92 36.2 0.76 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.861 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 45.42 67.25 1.28 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.43 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.584 ' CG ' HD22 ' A' ' 31' ' ' LEU . 49.2 t-80 -125.62 81.9 2.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.822 0.344 . . . . 0.0 110.899 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.44 ' C ' ' O ' ' A' ' 36' ' ' HIS . 29.4 mttm -34.29 -74.92 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.456 ' HG2' ' N ' ' A' ' 39' ' ' LEU . 31.5 ttm180 -42.6 152.33 0.1 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.862 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.456 ' N ' ' HG2' ' A' ' 38' ' ' ARG . 54.2 mt -130.83 -175.76 3.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.906 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.513 HG23 ' HB3' ' A' ' 46' ' ' ASP . 92.9 mt -102.26 119.72 50.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.114 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.441 ' HD3' ' N ' ' A' ' 41' ' ' ARG . 1.7 mpp_? -93.06 -60.75 1.72 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.852 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.438 ' O ' ' N ' ' A' ' 45' ' ' GLN . 2.7 m-20 -115.07 98.27 6.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.818 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.565 HD11 ' CE2' ' A' ' 116' ' ' PHE . 13.0 tp -42.37 -24.06 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.933 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.42 ' N ' ' O ' ' A' ' 42' ' ' ASP . 44.8 mt-30 -76.38 -40.71 50.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.929 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.799 ' HA ' HG23 ' A' ' 48' ' ' THR . 42.7 mt-30 -85.45 -48.25 9.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.889 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.865 ' OD1' HG13 ' A' ' 47' ' ' VAL . 0.5 OUTLIER -43.85 -22.55 0.06 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.838 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.865 HG13 ' OD1' ' A' ' 46' ' ' ASP . 25.4 m -114.94 40.26 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.118 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.799 HG23 ' HA ' ' A' ' 45' ' ' GLN . 2.8 p -89.69 -34.71 16.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.148 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.452 ' O ' ' CB ' ' A' ' 81' ' ' ASN . 1.9 m-20 -105.93 -15.53 14.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.825 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 89.33 -20.88 31.47 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.504 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 99.5 t -54.78 -69.75 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.839 0.352 . . . . 0.0 111.156 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.691 HD21 HD11 ' A' ' 31' ' ' LEU . 1.7 tt -53.58 -32.14 49.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.91 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.689 HD11 HD11 ' A' ' 57' ' ' ILE . 1.9 tp -61.77 -56.49 19.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.901 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.409 ' HB1' HD12 ' A' ' 65' ' ' ILE . . . -58.75 -40.4 83.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.09 179.834 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.542 ' O ' HG23 ' A' ' 59' ' ' VAL . 74.0 mt-30 -39.44 -36.46 0.37 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.957 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.68 HG12 ' HB1' ' A' ' 27' ' ' ALA . 4.5 mp -85.35 -55.35 6.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.118 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.689 HD11 HD11 ' A' ' 53' ' ' LEU . 14.4 mt -42.59 -55.67 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.113 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.422 ' O ' ' N ' ' A' ' 62' ' ' ASN . 32.1 mt-30 -52.72 -37.63 59.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.908 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.542 HG23 ' O ' ' A' ' 55' ' ' GLN . 82.0 t -70.83 -67.55 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.16 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 10.9 p -51.17 -30.5 9.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.094 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -90.63 -25.73 19.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.117 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.422 ' N ' ' O ' ' A' ' 58' ' ' GLN . 3.8 m120 71.74 31.94 2.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.914 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -137.03 154.45 50.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.902 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 10.4 ttpp -104.08 129.91 51.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.866 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.409 HD12 ' HB1' ' A' ' 54' ' ' ALA . 10.0 mt -91.05 120.61 40.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.12 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -86.71 -18.24 31.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.873 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -84.69 32.97 0.51 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.839 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 29.9 mm -114.05 125.22 71.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.115 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 53.0 t30 -66.84 -61.97 1.68 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 110.6 -64.14 0.26 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.51 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 20.7 p -120.01 83.95 31.84 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.543 0.687 . . . . 0.0 110.869 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 137.06 34.46 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.698 2.266 . . . . 0.0 112.332 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.417 ' HD2' ' N ' ' A' ' 73' ' ' LYS . 0.0 OUTLIER -111.08 -45.51 3.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.905 179.909 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -86.83 168.88 13.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.884 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.17 -25.35 61.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.835 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 82.1 p -88.85 -28.16 20.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.888 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 24.3 mm-40 -53.86 -28.19 34.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.858 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 19.8 mtt -73.08 -43.77 61.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.879 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.453 ' CD1' ' HA ' ' A' ' 102' ' ' GLU . 47.9 mm -41.93 -55.08 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.154 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -47.81 -54.59 11.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.866 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.452 ' CB ' ' O ' ' A' ' 49' ' ' ASP . 1.8 m-20 -38.5 -69.92 0.11 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.88 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.596 HG21 HD12 ' A' ' 104' ' ' ILE . 18.2 mt -54.88 -44.4 72.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.113 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -48.32 -53.82 16.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.922 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -50.89 -44.12 59.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.095 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 42.6 m -61.89 -51.46 68.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.86 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.513 ' O ' HD13 ' A' ' 96' ' ' ILE . 73.8 mt -51.75 -47.53 64.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.897 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 69.4 m-80 -69.46 -42.6 74.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.908 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.531 ' CD1' ' C ' ' A' ' 88' ' ' PHE . 1.2 t80 -57.23 -37.4 72.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.908 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 22.8 mt -70.04 -56.62 6.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.896 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -43.94 -41.48 5.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.142 179.806 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -61.07 -40.06 92.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.117 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 63.9 mmtt -63.19 -25.41 68.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.854 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 119.89 35.89 0.87 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.496 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.668 HD11 ' HB2' ' A' ' 122' ' ' TYR . 31.7 mt -118.35 155.37 20.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.848 0.356 . . . . 0.0 111.14 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' ASN . . . . . 0.442 ' N ' HG22 ' A' ' 94' ' ' ILE . 26.8 t30 -93.1 113.86 26.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.878 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.513 HD13 ' O ' ' A' ' 86' ' ' LEU . 38.6 pt -109.7 -20.32 6.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.137 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 11.7 mt-30 -43.78 120.94 2.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.927 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 121.69 -33.12 4.39 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.459 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 22.3 mt -68.17 175.39 3.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.828 0.347 . . . . 0.0 110.925 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 15.3 m -151.99 106.64 3.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.883 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -44.43 -48.73 9.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.154 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.453 ' HA ' ' CD1' ' A' ' 79' ' ' ILE . 29.2 tt0 -55.3 -54.64 40.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -50.74 -53.92 27.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.921 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.596 HD12 HG21 ' A' ' 82' ' ' ILE . 10.0 mt -47.53 -50.77 8.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.169 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 21.4 ttt-85 -55.27 -30.09 59.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.894 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 82.1 m-20 -81.41 -13.82 57.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 89.87 24.71 29.25 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.486 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' ASN . . . . . 0.814 ' O ' HD12 ' A' ' 112' ' ' ILE . 13.8 t30 -66.5 99.45 0.57 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.901 0.382 . . . . 0.0 110.885 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.437 ' O ' ' C ' ' A' ' 110' ' ' LYS . 4.2 tp -37.31 -69.9 0.11 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.896 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.484 ' HD2' HD13 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -34.54 -42.19 0.14 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.939 179.857 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 111' ' ' ALA . . . . . 0.42 ' HB3' ' O ' ' A' ' 108' ' ' ASN . . . -68.24 -63.33 1.08 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.08 179.828 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.814 HD12 ' O ' ' A' ' 108' ' ' ASN . 5.4 mp -52.95 -56.26 8.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.115 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.522 HD11 ' O ' ' A' ' 16' ' ' LEU . 32.8 mt -48.93 -54.26 16.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.938 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -51.73 -40.82 49.49 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.507 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 1.0 HD23 ' N ' ' A' ' 116' ' ' PHE . 0.1 OUTLIER -60.06 -58.82 6.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.864 0.364 . . . . 0.0 110.929 -179.933 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 1.0 ' N ' HD23 ' A' ' 115' ' ' LEU . 10.7 m-85 -63.12 -17.86 62.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.879 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 117' ' ' PHE . . . . . 0.467 ' CD1' ' C ' ' A' ' 117' ' ' PHE . 4.6 t80 -73.43 -35.99 65.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.878 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 5.7 t -93.88 -35.45 12.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.845 -179.783 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.431 ' O ' HD12 ' A' ' 119' ' ' LEU . 3.5 tp -56.87 -57.04 14.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.894 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 34.3 t -44.44 -41.22 6.1 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.876 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 11.8 mmp_? -46.93 -50.86 18.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.897 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' TYR . . . . . 0.668 ' HB2' HD11 ' A' ' 94' ' ' ILE . 17.1 t80 -40.94 -53.28 2.97 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.893 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 10.4 tptp -73.28 -48.75 32.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.903 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 36.5 mm-40 -50.59 128.94 21.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.917 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 72.36 33.82 1.42 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.903 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -123.43 45.42 2.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.896 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 16.5 pt20 -119.45 -40.46 2.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.921 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 -96.11 134.94 23.03 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.608 0.718 . . . . 0.0 110.935 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--N 1.342 0.195 0 C-N-CA 122.654 2.236 . . . . 0.0 112.332 -179.992 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.6 m -95.43 114.24 25.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.888 0.375 . . . . 0.0 110.848 -179.746 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.2 m -94.79 145.31 24.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.862 -179.793 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 150.68 151.97 5.7 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.496 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.0 p -82.72 157.2 23.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.852 0.358 . . . . 0.0 110.853 -179.725 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.4 m -85.03 162.02 19.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.895 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -103.8 88.57 0.63 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.468 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 21.1 mtmm 56.51 51.8 10.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.79 0.328 . . . . 0.0 110.889 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.402 ' NE ' ' HA ' ' A' ' 9' ' ' ARG . 15.1 mmp_? -104.34 152.5 22.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.919 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 22.2 mtpp -91.83 152.29 42.95 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.577 0.703 . . . . 0.0 110.893 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 98.09 0.68 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.696 2.264 . . . . 0.0 112.317 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.406 HG23 ' O ' ' A' ' 13' ' ' ILE . 1.0 OUTLIER -63.35 171.34 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.105 179.935 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.406 ' O ' HG23 ' A' ' 12' ' ' VAL . 18.6 mm -80.23 152.44 4.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.103 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.508 ' CG ' HD11 ' A' ' 22' ' ' ILE . 24.0 m-70 -127.43 77.84 1.77 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.903 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.4 ' O ' ' N ' ' A' ' 18' ' ' ASP . . . -43.47 161.52 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.469 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 61.6 mt -38.49 -52.54 1.59 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.762 0.315 . . . . 0.0 110.939 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -60.05 -40.53 89.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.917 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.4 ' N ' ' O ' ' A' ' 15' ' ' GLY . 11.1 m-20 -66.17 -28.85 69.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.852 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.507 ' HA ' HD12 ' A' ' 22' ' ' ILE . 25.7 mt-30 -67.53 -45.72 74.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.926 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 27.0 tttt -43.15 -43.77 4.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.89 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.9 tpt180 -66.13 -50.36 64.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.856 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.508 HD11 ' CG ' ' A' ' 14' ' ' HIS . 59.1 mt -51.59 -46.69 37.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.168 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.411 ' CG ' ' HB3' ' A' ' 116' ' ' PHE . 21.7 m-85 -66.79 -47.05 73.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.945 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.499 ' O ' ' ND2' ' A' ' 28' ' ' ASN . 53.5 m -46.26 -45.01 16.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.125 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -71.15 -38.94 72.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.896 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.574 ' CZ2' ' HA ' ' A' ' 120' ' ' SER . 76.8 t90 -54.53 -47.08 73.57 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.937 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.847 ' HB1' HG12 ' A' ' 56' ' ' ILE . . . -71.84 -42.85 66.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.11 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.499 ' ND2' ' O ' ' A' ' 24' ' ' THR . 1.8 m-80 -45.5 -43.24 11.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.855 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 2.8 t60 -54.05 -49.22 69.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.496 ' HB2' HG23 ' A' ' 56' ' ' ILE . 79.0 m-85 -65.47 -19.97 66.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.941 -179.881 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.547 HD11 HD21 ' A' ' 52' ' ' LEU . 27.2 mt -86.35 -39.61 16.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.907 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -77.78 -27.31 50.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.117 179.8 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.5 ptmm? -70.54 -35.72 73.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.938 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.1 m -92.49 24.07 3.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.851 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 50.45 71.13 0.68 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.494 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.455 ' CE1' ' HB3' ' A' ' 38' ' ' ARG . 12.7 t-80 -110.18 128.76 55.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.867 0.365 . . . . 0.0 110.869 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.0 mptt -84.05 46.68 1.22 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.455 ' HB3' ' CE1' ' A' ' 36' ' ' HIS . 40.1 ttm180 -174.78 153.55 1.77 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.886 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 39.8 mt -132.6 178.96 6.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.936 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.69 HG23 ' HB2' ' A' ' 46' ' ' ASP . 96.7 mt -100.94 115.03 41.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.152 179.81 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 69.6 mtm180 -88.8 -60.45 1.96 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.909 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.473 ' O ' ' N ' ' A' ' 45' ' ' GLN . 1.6 m-20 -113.82 98.92 7.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.856 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.668 HD11 ' CE2' ' A' ' 116' ' ' PHE . 13.1 tp -41.27 -39.87 1.48 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.902 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.543 ' CD ' HD13 ' A' ' 109' ' ' LEU . 26.1 mt-30 -67.71 -35.71 79.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.912 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.473 ' N ' ' O ' ' A' ' 42' ' ' ASP . 30.0 mt-30 -97.78 5.31 49.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.927 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.69 ' HB2' HG23 ' A' ' 40' ' ' ILE . 0.2 OUTLIER -94.57 -30.34 14.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 179.932 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.643 HG12 ' HB2' ' A' ' 53' ' ' LEU . 23.8 m -108.32 33.41 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.09 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 2.5 p -85.08 -35.93 21.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.146 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -98.96 -21.34 16.31 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.829 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 89.17 -24.65 12.58 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.47 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 58.8 t -54.71 -69.85 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.815 0.341 . . . . 0.0 111.105 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.674 ' O ' HD12 ' A' ' 56' ' ' ILE . 2.2 tt -50.82 -41.98 57.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.893 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.831 HD11 HD11 ' A' ' 57' ' ' ILE . 2.4 tp -52.52 -47.31 66.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.885 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.94 -37.37 85.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.085 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.524 ' O ' HG23 ' A' ' 59' ' ' VAL . 82.3 mt-30 -48.36 -22.82 0.76 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.965 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.847 HG12 ' HB1' ' A' ' 27' ' ' ALA . 5.3 mp -98.14 -49.0 12.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.137 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.831 HD11 HD11 ' A' ' 53' ' ' LEU . 79.7 mt -51.36 -49.3 31.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.093 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -56.77 -28.56 61.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.926 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.524 HG23 ' O ' ' A' ' 55' ' ' GLN . 10.6 t -79.75 -66.25 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.143 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.406 HG13 ' N ' ' A' ' 61' ' ' ALA . 6.2 p -50.29 -42.08 20.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.141 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.406 ' N ' HG13 ' A' ' 60' ' ' VAL . . . -83.66 -12.37 56.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.093 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 57.2 t30 56.88 41.37 28.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.939 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -139.6 160.85 38.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 10.7 ttpt -110.7 131.03 55.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.409 ' CG2' HG12 ' A' ' 68' ' ' ILE . 12.4 mt -97.54 118.76 44.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.113 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -87.79 -17.71 31.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.91 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.508 ' HB3' ' HB1' ' A' ' 84' ' ' ALA . 13.9 t0 -86.49 33.77 0.64 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.868 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.409 HG12 ' CG2' ' A' ' 65' ' ' ILE . 44.6 mm -114.31 129.68 69.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.114 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -64.42 -70.89 0.2 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.857 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 106.6 -39.36 2.9 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.494 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 10.8 t -133.63 75.29 68.92 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.604 0.716 . . . . 0.0 110.891 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 140.15 41.96 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.65 2.233 . . . . 0.0 112.384 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 22.6 mmtp -130.32 -36.26 1.5 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.9 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -90.12 166.82 13.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.949 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -70.11 -25.54 63.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.461 ' O ' ' N ' ' A' ' 79' ' ' ILE . 24.4 p -91.05 -43.31 10.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.866 -179.818 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -41.11 -35.88 0.63 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.917 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 18.3 mtt -66.59 -39.06 88.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.905 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.461 ' N ' ' O ' ' A' ' 76' ' ' SER . 16.8 mm -51.31 -56.45 5.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.159 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -43.62 -54.21 5.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.865 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -40.32 -69.46 0.13 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 24.1 mt -54.14 -43.4 59.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.111 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -50.15 -56.59 10.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.508 ' HB1' ' HB3' ' A' ' 67' ' ' ASP . . . -49.17 -46.38 45.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.113 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 83.9 m -58.27 -39.85 80.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.886 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.425 ' O ' HG21 ' A' ' 96' ' ' ILE . 45.7 mt -66.57 -45.41 79.39 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.912 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 58.0 m-80 -68.05 -34.28 76.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.888 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.46 ' CD1' ' C ' ' A' ' 88' ' ' PHE . 2.1 t80 -70.36 -42.48 71.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.855 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 30.5 mt -68.98 -40.56 78.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.913 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -55.75 -42.49 75.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.086 179.789 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -59.55 -25.82 64.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.143 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 38.1 mmtt -79.9 -23.43 41.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.928 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 118.61 36.61 0.9 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.505 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.751 HD11 ' HB2' ' A' ' 122' ' ' TYR . 61.9 mt -120.73 131.01 73.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.879 0.371 . . . . 0.0 111.093 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -67.37 128.03 34.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.881 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.425 HG21 ' O ' ' A' ' 86' ' ' LEU . 33.5 pt -124.8 -23.03 2.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.097 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -40.03 -45.29 1.9 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.943 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -64.34 -43.18 97.23 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.506 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 60.1 mt -59.86 168.52 1.75 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.755 0.312 . . . . 0.0 110.96 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 22.4 m -153.85 107.46 2.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.841 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -45.48 -52.13 10.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.104 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -51.1 -49.21 61.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.878 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -61.41 -42.37 98.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.477 ' CG2' HG23 ' A' ' 47' ' ' VAL . 58.6 mt -61.07 -45.54 98.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.116 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 28.3 ttt-85 -61.26 -28.95 69.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.878 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 35.1 m-20 -74.81 -25.5 59.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.893 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 96.54 24.39 14.01 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.483 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' ASN . . . . . 0.672 ' O ' HD12 ' A' ' 112' ' ' ILE . 59.8 t30 -71.93 104.43 3.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.806 0.336 . . . . 0.0 110.882 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.543 HD13 ' CD ' ' A' ' 44' ' ' GLN . 10.8 tp -40.89 -52.49 3.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.923 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 3.8 mmmm -45.46 -40.58 8.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.954 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -70.73 -65.71 0.7 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.109 179.781 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.743 ' H ' HD12 ' A' ' 112' ' ' ILE . 5.3 mp -44.36 -61.08 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.116 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.418 ' O ' ' CB ' ' A' ' 117' ' ' PHE . 63.5 mt -46.44 -39.24 10.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.974 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -64.76 -37.63 94.59 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.489 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.999 HD23 ' N ' ' A' ' 116' ' ' PHE . 0.1 OUTLIER -69.68 -58.84 3.44 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.922 0.391 . . . . 0.0 110.969 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.999 ' N ' HD23 ' A' ' 115' ' ' LEU . 10.7 m-85 -63.68 -15.51 58.57 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.931 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 117' ' ' PHE . . . . . 0.568 ' CD1' ' C ' ' A' ' 117' ' ' PHE . 0.6 OUTLIER -77.49 -35.83 53.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.875 -179.958 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 9.9 p -93.86 -34.18 13.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.813 -179.765 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 14.0 tp -60.01 -53.48 57.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.933 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' SER . . . . . 0.574 ' HA ' ' CZ2' ' A' ' 26' ' ' TRP . 8.9 t -50.43 -32.4 17.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 36.6 mtp85 -63.07 -48.38 78.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.862 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' TYR . . . . . 0.751 ' HB2' HD11 ' A' ' 94' ' ' ILE . 0.4 OUTLIER -39.6 -43.0 1.26 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.925 -179.87 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 123' ' ' LYS . . . . . 0.406 ' O ' ' N ' ' A' ' 125' ' ' GLN . 8.6 tptp -88.94 -54.76 3.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.905 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 22.0 mm-40 -43.91 -22.73 0.06 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 125' ' ' GLN . . . . . 0.406 ' N ' ' O ' ' A' ' 123' ' ' LYS . 18.5 mm100 -76.22 -49.11 18.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.964 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -81.05 82.81 6.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.887 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -141.92 171.09 14.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 18.1 mp0 -113.4 143.53 29.51 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.638 0.732 . . . . 0.0 110.905 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--N 1.342 0.191 0 C-N-CA 122.718 2.279 . . . . 0.0 112.306 179.986 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.0 t -120.7 -49.1 2.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.87 0.367 . . . . 0.0 110.889 -179.756 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.3 m -82.22 96.67 7.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.817 -179.793 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -103.68 175.51 23.44 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.557 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.0 t -152.14 173.9 14.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.829 0.347 . . . . 0.0 110.848 -179.724 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.2 m -98.28 135.89 39.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.842 -179.792 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -117.16 54.62 0.59 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.515 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.4 pttp -83.68 110.73 18.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.809 0.338 . . . . 0.0 110.924 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 6.9 ptp180 -90.1 37.44 0.89 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.858 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.4 mptt -115.62 142.65 29.22 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.56 0.695 . . . . 0.0 110.912 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 102.69 1.05 Allowed 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.697 2.264 . . . . 0.0 112.375 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 83.3 t -123.31 134.71 65.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.147 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.466 ' CG2' ' N ' ' A' ' 14' ' ' HIS . 3.9 mt -92.8 155.93 3.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.117 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.646 ' CG ' HD11 ' A' ' 22' ' ' ILE . 75.9 m80 -132.98 88.06 2.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.902 179.817 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.432 ' O ' ' C ' ' A' ' 16' ' ' LEU . . . -44.56 162.03 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.512 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.521 ' HB3' HD23 ' A' ' 109' ' ' LEU . 86.5 mt -35.93 -58.22 0.65 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.794 0.33 . . . . 0.0 110.931 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -55.12 -43.93 74.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.923 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.435 ' HB2' ' C ' ' A' ' 14' ' ' HIS . 6.9 m-20 -60.28 -32.71 71.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.87 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.515 ' HA ' HD12 ' A' ' 22' ' ' ILE . 31.5 mt-30 -61.29 -53.57 55.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.909 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.714 ' HB2' HD11 ' A' ' 109' ' ' LEU . 40.9 tttt -36.16 -48.78 0.64 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.926 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.459 ' HD2' ' N ' ' A' ' 22' ' ' ILE . 1.6 tmm_? -59.35 -59.09 6.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.859 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.646 HD11 ' CG ' ' A' ' 14' ' ' HIS . 62.0 mt -41.41 -50.32 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.124 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.525 ' HB2' HD22 ' A' ' 43' ' ' LEU . 24.9 m-85 -67.42 -51.16 55.07 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.907 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 53.4 m -41.48 -58.38 1.92 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.12 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -60.0 -41.75 92.76 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.87 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 81.0 t90 -53.69 -44.33 69.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.92 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.628 ' HB1' HG12 ' A' ' 56' ' ' ILE . . . -75.0 -38.41 61.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.053 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.809 ' OD1' HD22 ' A' ' 39' ' ' LEU . 1.9 m-80 -48.86 -32.36 8.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.877 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -64.38 -53.16 53.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.423 ' HB2' HG23 ' A' ' 56' ' ' ILE . 78.5 m-85 -60.81 -21.62 63.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.878 -179.829 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.419 HD11 HD21 ' A' ' 52' ' ' LEU . 19.2 mt -86.64 -41.9 13.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.889 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -72.27 -27.65 62.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.151 179.773 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.5 ptmt -70.96 -39.65 72.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.898 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.4 t -84.8 26.64 0.81 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.895 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 49.21 58.04 8.38 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.489 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.631 ' CE1' ' HB3' ' A' ' 38' ' ' ARG . 40.1 t-80 -96.72 122.75 40.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.855 0.36 . . . . 0.0 110.841 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -79.19 50.34 1.05 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.631 ' HB3' ' CE1' ' A' ' 36' ' ' HIS . 33.9 ttm180 -176.07 169.65 2.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.89 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.809 HD22 ' OD1' ' A' ' 28' ' ' ASN . 59.5 mt -144.12 171.95 13.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.923 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.478 HG23 ' CG ' ' A' ' 46' ' ' ASP . 44.3 mt -94.71 112.49 27.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.129 179.801 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 6.7 tpm_? -84.64 -61.91 1.68 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.857 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.424 ' HA ' ' CE ' ' A' ' 20' ' ' LYS . 6.3 m-20 -114.94 100.03 7.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.849 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.85 HD11 ' CE2' ' A' ' 116' ' ' PHE . 13.8 tp -44.85 -24.29 0.2 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.868 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 44.2 mt-30 -78.23 -39.93 38.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.894 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.707 ' HA ' HG23 ' A' ' 48' ' ' THR . 96.2 mm-40 -85.69 -54.65 4.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.478 ' CG ' HG23 ' A' ' 40' ' ' ILE . 5.2 m-20 -42.55 -23.49 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.869 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.611 HG22 ' O ' ' A' ' 43' ' ' LEU . 11.3 m -111.05 39.54 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.125 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.707 HG23 ' HA ' ' A' ' 45' ' ' GLN . 7.0 p -94.04 -32.59 13.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.127 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.491 ' O ' ' ND2' ' A' ' 81' ' ' ASN . 0.1 OUTLIER -101.49 -11.97 18.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 179.909 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 78.21 -13.26 15.88 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.501 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.573 HG21 ' O ' ' A' ' 70' ' ' GLY . 62.7 t -66.65 -65.11 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.851 0.358 . . . . 0.0 111.151 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.636 HD23 ' O ' ' A' ' 52' ' ' LEU . 2.0 tt -56.67 -28.79 61.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.943 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.594 ' O ' HD12 ' A' ' 53' ' ' LEU . 1.2 tp -64.83 -56.22 14.81 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.879 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.513 ' HB1' HD12 ' A' ' 65' ' ' ILE . . . -56.99 -36.52 70.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.115 179.77 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.521 ' O ' HG23 ' A' ' 59' ' ' VAL . 37.0 mt-30 -44.18 -30.46 0.78 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.628 HG12 ' HB1' ' A' ' 27' ' ' ALA . 5.0 mp -90.98 -45.38 14.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.117 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.501 HD11 HD11 ' A' ' 53' ' ' LEU . 15.8 mt -54.95 -42.61 64.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.134 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 29.6 mt-30 -68.63 -17.46 64.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.922 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.521 HG23 ' O ' ' A' ' 55' ' ' GLN . 78.7 t -93.79 -36.81 7.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.105 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.613 HG12 ' O ' ' A' ' 56' ' ' ILE . 3.3 p -84.93 -27.4 6.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.171 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -94.89 -13.42 25.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.135 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 5.6 m120 61.0 47.08 7.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.925 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 8.4 tm-20 -152.35 161.07 43.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 21.3 ttpt -110.22 132.0 54.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.904 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.513 HD12 ' HB1' ' A' ' 54' ' ' ALA . 12.7 mt -94.77 102.83 14.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.119 179.866 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -74.09 -15.74 61.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -86.52 37.24 0.73 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.909 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 30.7 mm -117.62 120.75 65.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.161 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.801 ' C ' HD21 ' A' ' 69' ' ' ASN . 0.1 OUTLIER -60.44 -50.71 72.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.872 179.919 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.573 ' O ' HG21 ' A' ' 51' ' ' VAL . . . 101.7 -75.71 0.35 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.428 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 1.8 m -112.61 76.56 2.12 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.652 0.739 . . . . 0.0 110.899 -179.834 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.82 137.24 34.84 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.682 2.255 . . . . 0.0 112.308 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.26 -21.22 5.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.901 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -92.52 140.32 29.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.916 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 5.8 tpt180 -48.29 -24.99 1.36 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.879 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 65.4 p -96.87 -28.13 14.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.852 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 6.8 mm-40 -47.42 -41.1 19.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.887 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 2.1 mpt? -66.27 -46.42 77.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 47.5 mm -41.15 -51.82 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.11 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -52.41 -44.47 65.39 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.915 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.491 ' ND2' ' O ' ' A' ' 49' ' ' ASP . 3.0 m120 -47.47 -70.45 0.09 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.921 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.751 ' H ' HD12 ' A' ' 82' ' ' ILE . 5.3 mp -50.5 -41.0 19.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.134 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -56.46 -47.15 79.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.897 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -53.25 -48.1 68.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.083 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 34.1 m -58.64 -45.06 90.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 79.2 mt -59.22 -45.31 91.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 68.9 m-80 -69.85 -38.85 76.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.457 ' CZ ' ' NZ ' ' A' ' 92' ' ' LYS . 1.3 t80 -62.56 -40.0 95.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.884 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 27.2 mt -67.6 -49.97 60.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.974 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -49.26 -41.02 36.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.144 179.745 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -63.07 -26.44 68.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.128 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.457 ' NZ ' ' CZ ' ' A' ' 88' ' ' PHE . 28.9 mmtp -80.62 -13.56 58.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 106.77 33.97 3.16 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.506 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.643 HD11 ' HB2' ' A' ' 122' ' ' TYR . 47.1 mt -116.81 129.82 72.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.822 0.344 . . . . 0.0 111.112 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -70.94 117.26 12.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.9 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 36.8 pt -110.88 -19.25 7.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.099 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 41.0 mm-40 -42.7 104.37 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.921 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 136.24 -37.14 1.92 Allowed Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.489 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 78.3 mt -64.95 159.65 22.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.847 0.356 . . . . 0.0 110.882 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 42.4 m -137.9 107.95 6.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.854 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.405 ' HA ' HG21 ' A' ' 82' ' ' ILE . . . -49.37 -37.29 24.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.07 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -63.97 -50.12 69.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.865 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -55.51 -40.54 71.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.888 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.666 HD12 ' CG2' ' A' ' 82' ' ' ILE . 16.8 mt -63.73 -44.57 98.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.11 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 8.3 ttt85 -57.58 -32.2 66.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.848 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 39.9 m-20 -77.85 -24.28 48.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 96.35 35.07 5.6 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.516 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' ASN . . . . . 0.686 ' O ' HD12 ' A' ' 112' ' ' ILE . 4.2 t-20 -78.88 106.23 10.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.82 0.343 . . . . 0.0 110.897 -179.881 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.714 HD11 ' HB2' ' A' ' 20' ' ' LYS . 8.7 tp -43.93 -51.11 7.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 3.6 mmmp? -51.2 -31.53 20.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.866 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -78.63 -60.45 2.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.167 179.784 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.792 ' H ' HD12 ' A' ' 112' ' ' ILE . 4.9 mp -51.08 -57.74 2.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.164 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.454 HD13 ' OE1' ' A' ' 19' ' ' GLN . 62.8 mt -40.88 -49.66 3.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.912 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -53.87 -42.77 70.24 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.449 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 1.001 HD23 ' N ' ' A' ' 116' ' ' PHE . 0.2 OUTLIER -64.19 -59.96 3.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.859 0.361 . . . . 0.0 110.95 -179.939 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 1.001 ' N ' HD23 ' A' ' 115' ' ' LEU . 10.9 m-85 -64.45 -16.31 62.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 117' ' ' PHE . . . . . 0.423 ' CD1' ' C ' ' A' ' 117' ' ' PHE . 9.0 t80 -76.79 -32.53 57.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.868 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 3.0 m -94.62 -46.17 7.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.868 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 8.2 tp -45.55 -54.54 7.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.911 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 25.2 p -47.29 -43.48 22.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 65.4 mtp180 -51.43 -53.2 39.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.914 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 122' ' ' TYR . . . . . 0.643 ' HB2' HD11 ' A' ' 94' ' ' ILE . 1.0 OUTLIER -42.02 -47.02 4.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.958 -179.9 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 16.5 tptp -72.21 -53.86 11.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.902 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -46.81 126.5 8.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.929 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 50.39 42.07 25.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.946 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 126' ' ' GLN . . . . . 0.442 ' CD ' ' O ' ' A' ' 126' ' ' GLN . 5.0 pp0? -81.36 41.51 0.62 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 19.3 pt20 -153.64 131.39 11.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.94 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 128' ' ' GLN . . . . . 0.447 ' NE2' ' HD2' ' A' ' 129' ' ' PRO . 7.8 tm0? -122.06 128.8 25.39 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.57 0.7 . . . . 0.0 110.957 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 129' ' ' PRO . . . . . 0.447 ' HD2' ' NE2' ' A' ' 128' ' ' GLN . 54.5 Cg_endo . . . . . 0 C--N 1.341 0.157 0 C-N-CA 122.696 2.264 . . . . 0.0 112.393 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.504 -0.239 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.0 m -91.71 83.92 5.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.91 0.386 . . . . 0.0 110.857 -179.748 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 82.8 p -84.61 41.99 0.88 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.873 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -136.28 44.98 1.12 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.547 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.8 t 44.62 41.66 5.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.863 0.363 . . . . 0.0 110.847 -179.715 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 7' ' ' GLY . 3.3 t -134.36 150.66 50.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.85 -179.833 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.408 ' C ' ' O ' ' A' ' 6' ' ' SER . . . 37.68 40.39 0.71 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.47 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 22.7 ttmt -100.98 122.42 43.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.789 0.328 . . . . 0.0 110.919 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -124.75 8.79 8.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.855 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 24.8 mttm -126.73 143.54 46.88 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.55 0.69 . . . . 0.0 110.885 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 109.92 2.43 Favored 'Trans proline' 0 C--O 1.231 0.141 0 C-N-CA 122.676 2.251 . . . . 0.0 112.375 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 10.8 p -44.94 135.27 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.086 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 5.2 mp -87.64 149.47 4.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.158 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.517 ' CG ' HD11 ' A' ' 22' ' ' ILE . 34.1 m80 -122.81 84.13 2.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.873 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -41.79 165.0 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.459 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 89.5 mt -39.41 -56.7 1.54 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.768 0.318 . . . . 0.0 110.955 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.452 ' OE2' HD22 ' A' ' 109' ' ' LEU . 27.3 mm-40 -55.0 -42.45 72.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.443 ' HB2' ' C ' ' A' ' 14' ' ' HIS . 0.6 OUTLIER -61.41 -38.04 85.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.839 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.432 ' O ' ' C ' ' A' ' 20' ' ' LYS . 20.5 mt-30 -55.36 -54.87 38.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.9 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' A' ' 19' ' ' GLN . 29.3 tttt -34.39 -41.57 0.12 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.428 ' O ' ' C ' ' A' ' 22' ' ' ILE . 28.8 ttt85 -67.63 -60.4 2.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.854 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.517 HD11 ' CG ' ' A' ' 14' ' ' HIS . 92.7 mt -35.8 -53.87 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.146 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 25.0 m-85 -66.15 -45.79 79.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.854 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.516 HG22 ' ND2' ' A' ' 28' ' ' ASN . 59.3 m -46.19 -55.03 7.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.139 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -62.14 -41.18 98.02 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.863 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 80.8 t90 -57.12 -55.15 38.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.939 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.78 ' HB1' HD13 ' A' ' 56' ' ' ILE . . . -63.66 -50.24 70.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.101 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.516 ' ND2' HG22 ' A' ' 24' ' ' THR . 19.9 m-20 -40.63 -43.37 1.9 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.848 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.55 ' CE1' ' HE2' ' A' ' 33' ' ' LYS . 6.5 t60 -51.71 -46.86 64.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.82 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.44 ' HB2' HG23 ' A' ' 56' ' ' ILE . 82.8 m-85 -63.75 -23.78 67.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.992 -179.862 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.45 ' O ' ' CB ' ' A' ' 36' ' ' HIS . 19.3 mt -80.84 -40.68 24.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.919 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -71.43 -46.45 60.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.072 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.55 ' HE2' ' CE1' ' A' ' 29' ' ' HIS . 12.1 ptpt -57.55 -35.56 70.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.914 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.43 ' O ' ' C ' ' A' ' 35' ' ' GLY . 7.1 t -88.13 38.03 0.84 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.891 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.43 ' C ' ' O ' ' A' ' 34' ' ' SER . . . 35.71 65.33 0.47 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.493 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.594 ' CE1' ' HB3' ' A' ' 38' ' ' ARG . 49.0 t-80 -111.75 135.84 51.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.859 0.361 . . . . 0.0 110.848 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 40.3 mttp -97.34 53.89 1.18 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.898 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.594 ' HB3' ' CE1' ' A' ' 36' ' ' HIS . 9.5 ttp-105 -176.05 133.27 0.25 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.865 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 45.5 mt -109.4 -175.46 2.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.938 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.803 HD11 HD11 ' A' ' 56' ' ' ILE . 68.4 mt -102.57 113.05 38.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.143 179.815 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 18.3 mmt180 -83.48 -65.69 0.98 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.864 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.427 ' O ' ' N ' ' A' ' 46' ' ' ASP . 1.0 OUTLIER -115.32 98.06 6.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.822 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.416 HD11 ' CE2' ' A' ' 116' ' ' PHE . 15.2 tp -38.11 -38.38 0.33 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.939 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.831 ' O ' HG23 ' A' ' 48' ' ' THR . 17.9 mt-30 -66.49 -46.99 74.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.931 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.41 ' N ' ' O ' ' A' ' 42' ' ' ASP . 5.0 mm100 -84.27 -8.14 59.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.958 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.772 ' CG ' HG23 ' A' ' 40' ' ' ILE . 0.9 OUTLIER -90.46 -3.61 57.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 179.913 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 15.4 m -127.49 -10.28 4.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.137 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.831 HG23 ' O ' ' A' ' 44' ' ' GLN . 11.2 p -60.18 -42.21 94.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.133 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -81.19 -30.72 34.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.857 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 87.91 -28.59 5.92 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.466 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 60.1 t -55.92 -67.46 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.897 0.379 . . . . 0.0 111.114 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.737 HD13 ' OD2' ' A' ' 46' ' ' ASP . 1.3 tt -54.82 -38.2 67.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.908 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.492 HD11 HD11 ' A' ' 57' ' ' ILE . 1.9 tp -56.04 -55.42 33.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.449 ' O ' ' N ' ' A' ' 56' ' ' ILE . . . -54.81 -45.3 74.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.085 179.845 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.438 ' O ' HG23 ' A' ' 59' ' ' VAL . 35.2 mt-30 -39.11 -27.87 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.922 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.803 HD11 HD11 ' A' ' 40' ' ' ILE . 18.0 mt -90.0 -53.65 8.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.125 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.492 HD11 HD11 ' A' ' 53' ' ' LEU . 66.6 mt -47.99 -46.18 12.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.148 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -58.47 -29.04 65.89 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.907 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.438 HG23 ' O ' ' A' ' 55' ' ' GLN . 98.2 t -82.43 -57.84 4.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.074 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 7.5 p -62.3 -26.08 39.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.098 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.446 ' HB3' ' O ' ' A' ' 57' ' ' ILE . . . -96.28 -10.45 27.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.113 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 18.5 m-80 56.3 32.99 21.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.86 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -139.03 170.54 15.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 20.1 tttt -119.93 137.52 54.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.957 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.471 ' HB ' ' CG1' ' A' ' 68' ' ' ILE . 23.4 mt -97.69 114.03 33.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.131 179.872 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -74.4 -27.84 60.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.877 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.496 ' O ' ' HB2' ' A' ' 84' ' ' ALA . 13.3 m-20 -79.61 44.19 0.61 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.893 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.471 ' CG1' ' HB ' ' A' ' 65' ' ' ILE . 32.8 mm -118.42 128.58 75.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.162 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 46.7 t-20 -75.36 -58.54 3.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.919 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 98.51 -36.6 3.9 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.519 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 33.7 m -129.72 73.78 81.23 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.649 0.738 . . . . 0.0 110.887 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 106.72 1.72 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.689 2.259 . . . . 0.0 112.335 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 23.7 mtmm -109.39 -48.05 3.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.911 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 25.0 t30 -63.59 168.2 4.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.908 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 10.1 tpp180 -71.93 -37.09 70.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.878 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 67.3 p -90.91 -24.27 20.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.845 -179.786 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 6.4 mm-40 -47.09 -47.65 22.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.891 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 14.6 mtt -52.84 -49.96 64.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.902 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.437 ' O ' ' C ' ' A' ' 80' ' ' GLU . 51.0 mm -41.58 -62.82 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.105 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.437 ' C ' ' O ' ' A' ' 79' ' ' ILE . 24.7 mm-40 -35.23 -60.68 0.47 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 21.7 m-20 -39.21 -69.22 0.13 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.849 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.575 HD11 ' O ' ' A' ' 48' ' ' THR . 46.2 mt -52.77 -38.7 28.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.179 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -56.93 -50.19 73.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.89 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.496 ' HB2' ' O ' ' A' ' 67' ' ' ASP . . . -51.21 -44.09 61.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.122 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' CYS . . . . . 0.44 ' HB3' ' CD1' ' A' ' 57' ' ' ILE . 56.5 m -61.18 -44.1 97.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 -179.895 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.535 ' O ' HG21 ' A' ' 96' ' ' ILE . 53.9 mt -63.37 -54.52 35.52 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.94 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 66.3 m-80 -62.76 -37.28 86.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.869 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.445 ' HE2' HG22 ' A' ' 57' ' ' ILE . 27.3 t80 -67.07 -35.55 80.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.872 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 44.7 mt -74.38 -43.9 54.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.919 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -50.91 -50.61 57.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.085 179.819 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -51.14 -30.25 16.01 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.091 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.411 ' NZ ' ' HB1' ' A' ' 61' ' ' ALA . 22.6 mmtp -74.79 -25.17 58.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.879 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 118.66 38.42 0.77 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.471 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.789 HD11 ' HB2' ' A' ' 122' ' ' TYR . 62.3 mt -122.51 140.43 46.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.877 0.37 . . . . 0.0 111.131 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 10.5 t30 -74.24 121.51 21.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.857 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.535 HG21 ' O ' ' A' ' 86' ' ' LEU . 25.2 pt -119.7 -28.24 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.138 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.431 ' N ' HG13 ' A' ' 96' ' ' ILE . 28.0 mt-30 -36.81 -60.43 0.61 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.93 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -45.02 -44.5 9.07 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.479 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 42.3 mt -64.29 177.01 0.91 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.815 0.341 . . . . 0.0 110.925 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 4.1 m -158.41 112.91 2.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.859 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -47.48 -46.57 27.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.082 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -54.34 -52.35 61.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.914 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -58.37 -47.1 84.92 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.939 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 45.7 mt -57.95 -42.03 81.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.155 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 7.2 ttt-85 -63.24 -28.43 70.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.896 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 14.7 m120 -73.15 -28.39 62.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.888 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 97.38 25.01 11.41 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.419 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' ASN . . . . . 0.85 ' O ' HD12 ' A' ' 112' ' ' ILE . 40.6 t-20 -74.16 109.11 7.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.851 0.358 . . . . 0.0 110.92 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.456 ' CD2' HD11 ' A' ' 113' ' ' LEU . 3.1 tp -43.3 -50.74 6.55 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 4.5 mmmp? -51.38 -35.14 37.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.858 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -75.63 -60.75 2.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.095 179.833 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.85 HD12 ' O ' ' A' ' 108' ' ' ASN . 5.4 mp -52.06 -61.05 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.131 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.456 HD11 ' CD2' ' A' ' 109' ' ' LEU . 90.7 mt -39.12 -42.69 0.96 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.953 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -58.93 -50.04 71.92 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.484 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.945 HD23 ' N ' ' A' ' 116' ' ' PHE . 0.3 OUTLIER -52.09 -59.21 4.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.897 0.38 . . . . 0.0 110.931 -179.941 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.945 ' N ' HD23 ' A' ' 115' ' ' LEU . 10.9 m-85 -64.29 -28.38 69.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 117' ' ' PHE . . . . . 0.485 ' CD1' ' C ' ' A' ' 117' ' ' PHE . 1.9 t80 -62.92 -34.09 76.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.865 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 46.0 m -94.84 -48.42 6.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.832 -179.774 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 12.6 tp -41.92 -55.57 3.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.908 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 3.0 t -46.01 -44.18 14.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.805 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 121' ' ' ARG . . . . . 0.444 ' HB3' ' NH1' ' A' ' 121' ' ' ARG . 11.7 mtp-105 -50.1 -54.68 18.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.836 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 122' ' ' TYR . . . . . 0.789 ' HB2' HD11 ' A' ' 94' ' ' ILE . 2.7 t80 -39.51 -44.64 1.44 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.895 -179.854 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 20.5 tptp -79.31 -44.77 20.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.927 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -38.45 -39.28 0.44 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 33.2 tt0 -93.16 -40.1 10.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.925 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 126' ' ' GLN . . . . . 0.434 ' O ' ' C ' ' A' ' 127' ' ' GLN . 1.6 tm0? -39.66 -41.01 1.0 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.913 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 127' ' ' GLN . . . . . 0.434 ' C ' ' O ' ' A' ' 126' ' ' GLN . 8.7 pt20 -35.07 139.15 0.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.912 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -54.65 142.34 53.04 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.654 0.74 . . . . 0.0 110.889 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--N 1.342 0.204 0 C-N-CA 122.68 2.253 . . . . 0.0 112.366 179.996 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.7 m -65.23 158.71 25.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.861 0.362 . . . . 0.0 110.852 -179.719 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.4 t -71.1 160.62 32.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.873 -179.789 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -153.6 127.7 2.23 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.461 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 87.9 p -89.57 164.61 14.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.893 0.378 . . . . 0.0 110.857 -179.759 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 83.3 p -119.54 118.03 29.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.872 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -76.85 -112.7 0.14 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.448 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 34.2 mtmm -102.1 148.8 24.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.809 0.338 . . . . 0.0 110.913 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -90.82 145.14 25.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.926 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.77 152.61 26.05 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.639 0.733 . . . . 0.0 110.879 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 138.56 38.22 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.653 2.235 . . . . 0.0 112.358 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 5.2 p -137.63 142.39 36.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.138 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 35.1 mm -88.9 142.58 12.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.146 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.582 ' CG ' HD11 ' A' ' 22' ' ' ILE . 41.5 m80 -110.57 84.07 1.87 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.875 179.843 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -45.84 172.37 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.532 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.525 ' O ' HD11 ' A' ' 113' ' ' LEU . 95.6 mt -44.8 -59.4 2.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.753 0.311 . . . . 0.0 110.916 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.454 ' HG2' ' N ' ' A' ' 18' ' ' ASP . 1.9 pm0 -55.4 -33.27 63.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.905 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.454 ' N ' ' HG2' ' A' ' 17' ' ' GLU . 1.1 m-20 -71.41 -35.01 70.85 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.536 ' HA ' HD12 ' A' ' 22' ' ' ILE . 22.8 mt-30 -60.68 -43.95 97.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.919 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 35.1 tttt -41.68 -40.73 2.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 17.5 tpt180 -68.61 -50.88 48.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.582 HD11 ' CG ' ' A' ' 14' ' ' HIS . 66.3 mt -48.79 -45.81 15.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.169 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 29.8 m-85 -68.25 -45.25 73.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.492 ' O ' ' ND2' ' A' ' 28' ' ' ASN . 53.3 m -44.41 -51.35 8.71 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.18 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -62.78 -42.98 99.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.849 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 66.9 t90 -53.08 -51.66 61.1 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.882 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.837 ' HB1' HG12 ' A' ' 56' ' ' ILE . . . -67.11 -38.83 86.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.118 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.687 ' OD1' HD22 ' A' ' 39' ' ' LEU . 1.3 m-80 -48.07 -47.77 33.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.866 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 7.7 t60 -48.13 -54.01 14.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.885 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 83.7 m-85 -57.81 -27.5 63.18 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.912 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.561 HD11 HD21 ' A' ' 52' ' ' LEU . 12.0 mt -78.74 -45.79 20.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.886 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.69 -45.15 87.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.101 179.793 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.6 ptmm? -58.29 -35.43 71.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.886 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 38.0 t -91.81 31.79 1.18 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.864 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 46.46 69.63 0.81 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.509 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.535 ' CG ' HD22 ' A' ' 31' ' ' LEU . 57.9 t-80 -134.11 78.63 1.77 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.886 0.374 . . . . 0.0 110.841 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.455 ' C ' ' O ' ' A' ' 36' ' ' HIS . 26.4 mttm -34.16 -63.88 0.26 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.911 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.425 ' HB3' ' CE1' ' A' ' 36' ' ' HIS . 47.0 ttm-85 -42.4 151.72 0.11 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.864 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.687 HD22 ' OD1' ' A' ' 28' ' ' ASN . 66.2 mt -135.62 169.98 16.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.932 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.416 HD12 ' HB3' ' A' ' 27' ' ' ALA . 91.8 mt -85.03 103.08 11.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.098 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 37.2 mmt-85 -83.16 -58.05 3.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.848 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.413 ' O ' ' N ' ' A' ' 46' ' ' ASP . 1.1 m-20 -115.15 101.29 8.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.874 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.767 ' O ' HG22 ' A' ' 47' ' ' VAL . 10.9 tp -54.67 -37.73 66.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.893 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.679 ' HG2' HD13 ' A' ' 112' ' ' ILE . 16.8 mt-30 -77.43 4.13 11.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.919 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 9.2 mm-40 -129.92 -19.36 3.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.907 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.413 ' N ' ' O ' ' A' ' 42' ' ' ASP . 42.0 m-20 -87.96 -26.35 22.71 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.864 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.767 HG22 ' O ' ' A' ' 43' ' ' LEU . 34.5 m -90.56 -24.98 5.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.182 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 66.7 p -51.37 -45.03 62.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.13 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -74.46 -29.85 61.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.881 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 83.36 -24.91 5.24 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.479 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 86.5 t -59.16 -64.13 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.846 0.355 . . . . 0.0 111.147 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.561 HD21 HD11 ' A' ' 31' ' ' LEU . 2.0 tt -59.33 -37.98 79.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.913 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.591 HD11 HD11 ' A' ' 57' ' ' ILE . 1.7 tp -55.19 -50.12 70.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.406 ' O ' ' C ' ' A' ' 55' ' ' GLN . . . -60.52 -47.08 87.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.105 179.802 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.653 ' O ' HG23 ' A' ' 59' ' ' VAL . 50.5 mt-30 -37.29 -36.46 0.14 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.935 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.837 HG12 ' HB1' ' A' ' 27' ' ' ALA . 3.2 mp -80.52 -49.35 18.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.132 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.591 HD11 HD11 ' A' ' 53' ' ' LEU . 49.7 mt -54.69 -60.43 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.098 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 44.3 mt-30 -45.0 -25.49 0.32 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.92 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.653 HG23 ' O ' ' A' ' 55' ' ' GLN . 83.1 t -86.25 -69.04 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.147 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.419 HG12 ' O ' ' A' ' 56' ' ' ILE . 5.2 p -46.34 -23.56 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.145 179.866 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.756 ' HB1' ' NZ ' ' A' ' 92' ' ' LYS . . . -100.41 -22.55 15.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.131 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.413 ' N ' ' O ' ' A' ' 59' ' ' VAL . 18.4 t30 70.24 31.31 3.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.937 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -133.19 177.5 7.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.878 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 20.1 tttt -126.11 138.54 53.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.927 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.478 ' HB ' ' CG1' ' A' ' 68' ' ' ILE . 15.0 mt -99.72 115.74 41.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.154 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -78.51 -23.25 46.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.469 ' O ' ' HB2' ' A' ' 84' ' ' ALA . 4.7 m-20 -83.75 42.3 0.84 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.854 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.478 ' CG1' ' HB ' ' A' ' 65' ' ' ILE . 35.4 mm -116.82 113.25 42.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.104 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 -54.24 -54.59 37.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.863 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 104.21 -61.38 0.42 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.475 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 4.0 t -116.69 77.47 8.26 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.573 0.701 . . . . 0.0 110.871 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 131.08 20.5 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.732 2.288 . . . . 0.0 112.367 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 27.9 mtmm -129.61 -49.96 1.16 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.881 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -73.31 170.53 14.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.902 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 27.0 ttm180 -61.75 -54.03 47.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.853 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.422 ' HA ' ' CG1' ' A' ' 79' ' ' ILE . 1.3 t -68.01 -37.75 81.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.863 -179.828 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 6.5 mm-40 -39.61 -48.47 2.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.91 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 15.3 mtm -66.87 -37.65 84.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.422 ' CG1' ' HA ' ' A' ' 76' ' ' SER . 36.3 mm -50.43 -52.57 15.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.133 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -52.0 -47.68 64.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.869 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -45.3 -65.23 0.56 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.893 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 15.3 mt -60.83 -45.46 97.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.157 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -48.11 -48.4 33.86 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.831 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.469 ' HB2' ' O ' ' A' ' 67' ' ' ASP . . . -54.77 -43.57 72.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.131 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 32.1 m -61.4 -43.11 99.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.631 ' O ' HG21 ' A' ' 96' ' ' ILE . 42.5 mt -63.39 -52.78 60.19 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.881 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 68.3 m-80 -64.15 -37.94 89.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 16.6 t80 -67.61 -38.62 84.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 55.6 mt -71.35 -42.2 68.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.91 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -49.86 -49.91 47.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.107 179.811 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -52.22 -30.1 25.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.081 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.756 ' NZ ' ' HB1' ' A' ' 61' ' ' ALA . 20.2 mmtp -74.81 -23.06 58.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.862 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 116.84 34.69 1.23 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.492 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.517 HD11 ' HB2' ' A' ' 122' ' ' TYR . 54.7 mt -117.72 137.22 52.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.871 0.367 . . . . 0.0 111.122 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -73.67 119.34 17.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.631 HG21 ' O ' ' A' ' 86' ' ' LEU . 30.9 pt -117.61 -28.8 2.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.13 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.413 ' C ' ' O ' ' A' ' 96' ' ' ILE . 19.4 mm-40 -37.08 -50.93 0.95 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.946 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -57.47 -44.3 93.73 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.491 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 47.4 mt -60.83 174.5 0.6 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.821 0.343 . . . . 0.0 110.899 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 37.9 m -151.41 117.13 5.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.878 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -57.51 -49.8 75.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.115 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -56.21 -40.01 73.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.888 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -65.79 -48.9 70.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.893 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 77.6 mt -55.84 -43.84 75.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.133 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 12.6 ttt-85 -60.49 -34.86 74.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.836 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 43.0 m-20 -68.74 -26.48 65.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.916 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 98.38 25.73 9.92 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.499 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' ASN . . . . . 0.565 ' O ' HD12 ' A' ' 112' ' ' ILE . 55.1 t30 -74.12 103.8 4.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.853 0.358 . . . . 0.0 110.906 -179.889 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.644 HD13 ' OE1' ' A' ' 44' ' ' GLN . 23.2 tp -39.97 -52.93 2.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.925 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 5.3 mmmm -43.86 -38.87 3.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -72.74 -61.17 1.9 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.1 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.687 ' H ' HD12 ' A' ' 112' ' ' ILE . 5.1 mp -46.92 -57.53 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.178 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.525 HD11 ' O ' ' A' ' 16' ' ' LEU . 28.1 mt -50.02 -48.17 52.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.943 179.861 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -56.91 -41.67 91.87 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.506 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.926 HD23 ' N ' ' A' ' 116' ' ' PHE . 0.4 OUTLIER -59.36 -61.93 2.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.862 0.363 . . . . 0.0 110.912 -179.934 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.926 ' N ' HD23 ' A' ' 115' ' ' LEU . 14.0 m-85 -65.07 -24.25 67.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.858 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 117' ' ' PHE . . . . . 0.534 ' CD1' ' C ' ' A' ' 117' ' ' PHE . 2.1 t80 -66.23 -36.71 83.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.839 -179.89 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 18.6 m -94.83 -50.01 5.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.855 -179.792 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 13.0 tp -42.5 -55.62 3.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.887 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 17.6 t -44.47 -42.9 7.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.881 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 68.8 mtp180 -47.5 -50.26 23.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.905 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 122' ' ' TYR . . . . . 0.517 ' HB2' HD11 ' A' ' 94' ' ' ILE . 8.2 t80 -40.06 -55.56 2.05 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.919 -179.85 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 13.7 tptp -67.65 -47.66 68.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.92 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 -39.69 114.79 0.45 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.932 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 6.9 mp0 57.66 54.82 6.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 45.4 tp60 -118.93 44.36 2.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.965 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -147.03 168.38 21.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 4.4 pp0? -71.45 149.91 93.79 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.587 0.708 . . . . 0.0 110.916 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo . . . . . 0 C--O 1.231 0.164 0 C-N-CA 122.716 2.278 . . . . 0.0 112.363 179.949 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.5 m -69.52 137.86 52.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.894 0.378 . . . . 0.0 110.847 -179.782 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 64.2 p -171.17 133.51 0.87 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.838 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 152.48 -175.41 31.11 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.48 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.433 ' O ' ' C ' ' A' ' 6' ' ' SER . 37.0 t -122.11 43.59 2.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.878 0.371 . . . . 0.0 110.826 -179.725 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.433 ' C ' ' O ' ' A' ' 5' ' ' SER . 7.4 t -35.77 -50.52 0.64 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.835 -179.816 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 157.66 171.51 23.72 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.505 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 16.6 tptm -131.94 49.75 2.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.78 0.324 . . . . 0.0 110.874 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -88.51 40.96 0.99 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.9 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 15.6 ptpt -172.32 152.68 2.79 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.553 0.692 . . . . 0.0 110.909 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 134.16 27.36 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.67 2.246 . . . . 0.0 112.354 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.498 HG13 ' O ' ' A' ' 12' ' ' VAL . 11.0 p -38.13 119.87 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.155 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 9.2 mm -113.19 -31.17 2.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.141 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.576 ' CD2' HD11 ' A' ' 22' ' ' ILE . 40.7 m170 62.89 52.16 2.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.852 179.846 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.481 ' N ' ' HB2' ' A' ' 18' ' ' ASP . . . -44.26 158.95 0.14 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.485 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.713 HD11 ' HE2' ' A' ' 110' ' ' LYS . 28.3 mt -35.88 -53.34 0.75 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.806 0.336 . . . . 0.0 110.92 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -64.75 -40.75 95.83 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.481 ' HB2' ' N ' ' A' ' 15' ' ' GLY . 10.9 m-20 -63.97 -29.43 70.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.491 ' HA ' HD12 ' A' ' 22' ' ' ILE . 33.8 mt-30 -67.19 -49.16 65.65 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 -179.879 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.586 ' HB2' HD11 ' A' ' 109' ' ' LEU . 30.3 tttt -44.0 -56.79 3.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.848 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 8.4 tpt180 -50.78 -53.99 27.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.865 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.576 HD11 ' CD2' ' A' ' 14' ' ' HIS . 84.3 mt -44.53 -47.36 2.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.111 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.502 ' CD1' ' HB3' ' A' ' 116' ' ' PHE . 25.8 m-85 -67.53 -53.05 31.86 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.892 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.407 ' O ' ' ND2' ' A' ' 28' ' ' ASN . 98.1 m -40.91 -53.45 2.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.123 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 21.6 t0 -67.19 -39.39 86.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.828 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 72.6 t90 -55.18 -45.54 75.78 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.939 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.701 ' HB1' HG12 ' A' ' 56' ' ' ILE . . . -71.19 -47.37 57.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.073 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.77 ' OD1' HD22 ' A' ' 39' ' ' LEU . 1.8 m-80 -37.09 -51.92 0.98 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.899 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 9.8 t60 -45.14 -63.69 0.88 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 71.1 m-85 -47.28 -46.78 25.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.889 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.47 HD11 HD21 ' A' ' 52' ' ' LEU . 13.0 mt -56.28 -60.79 2.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.981 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -69.44 -9.42 53.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.08 179.791 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -83.47 -31.88 26.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.87 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.8 t -99.85 27.04 5.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.918 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 57.95 70.81 0.88 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.461 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 8.3 t-80 -116.09 145.86 42.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.852 0.358 . . . . 0.0 110.845 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 5.1 mtpm? -102.86 47.57 0.88 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 25.1 ttt180 -172.35 147.43 1.95 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.77 HD22 ' OD1' ' A' ' 28' ' ' ASN . 17.1 mt -122.65 -178.3 3.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.861 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.856 HG23 ' HB2' ' A' ' 46' ' ' ASP . 96.6 mt -109.06 109.41 28.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.154 179.853 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 75.2 mtt180 -80.01 -64.15 1.25 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.91 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.462 ' O ' ' N ' ' A' ' 45' ' ' GLN . 60.8 m-20 -113.59 102.43 10.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.859 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.512 HD11 ' CE2' ' A' ' 116' ' ' PHE . 12.9 tp -37.06 -47.34 0.73 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.935 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 55.8 mt-30 -57.71 -42.87 84.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.904 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.462 ' N ' ' O ' ' A' ' 42' ' ' ASP . 12.3 mm100 -82.01 -16.76 49.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.927 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.856 ' HB2' HG23 ' A' ' 40' ' ' ILE . 0.2 OUTLIER -80.12 -7.54 58.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.848 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.689 HG12 ' HB2' ' A' ' 53' ' ' LEU . 20.3 m -132.46 34.5 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.07 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.2 p -88.21 -34.35 17.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.149 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.429 ' O ' ' CB ' ' A' ' 81' ' ' ASN . 10.0 m-20 -105.5 -19.23 13.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.875 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 90.32 -27.26 8.69 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.501 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 45.5 t -53.06 -70.51 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.907 0.384 . . . . 0.0 111.149 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.517 HD23 ' O ' ' A' ' 52' ' ' LEU . 1.3 tt -52.72 -36.64 57.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.95 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.689 ' HB2' HG12 ' A' ' 47' ' ' VAL . 1.6 tp -59.17 -50.8 72.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.915 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.13 -40.72 94.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.085 179.788 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.439 ' O ' HG23 ' A' ' 59' ' ' VAL . 21.2 mt-30 -42.5 -30.41 0.34 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.939 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.701 HG12 ' HB1' ' A' ' 27' ' ' ALA . 4.2 mp -88.43 -51.84 11.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.135 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.551 HD11 HD11 ' A' ' 53' ' ' LEU . 24.3 mt -48.1 -56.44 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.132 179.826 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 37.6 mt-30 -48.4 -30.74 5.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.938 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.439 HG23 ' O ' ' A' ' 55' ' ' GLN . 82.9 t -80.01 -68.59 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.093 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 3.5 p -48.52 -24.41 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.142 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -99.22 -21.17 16.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.073 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 67.16 35.7 4.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.895 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -137.29 177.99 7.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.908 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 7.0 ttmt -126.61 138.21 53.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.887 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 16.9 mt -101.97 103.23 14.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.15 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -71.6 -14.23 62.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -89.2 36.8 0.83 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.85 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 38.8 mm -114.84 112.2 39.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.115 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 39.2 t30 -48.69 -73.65 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.845 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 128.85 -58.29 0.71 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.503 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 2.1 m -128.76 81.21 71.22 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.627 0.727 . . . . 0.0 110.871 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 107.27 1.81 Allowed 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.705 2.27 . . . . 0.0 112.32 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 30.3 mmtm -96.62 -37.54 10.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.904 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 -79.85 161.86 25.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.884 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 13.9 ttt180 -63.2 -36.93 85.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.91 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.466 ' O ' ' N ' ' A' ' 78' ' ' MET . 58.7 p -82.4 -43.19 17.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 -179.801 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.401 ' C ' ' O ' ' A' ' 76' ' ' SER . 29.2 mt-30 -37.83 -29.37 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.944 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.466 ' N ' ' O ' ' A' ' 76' ' ' SER . 28.5 mtt -73.37 -46.24 50.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.88 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.465 ' N ' ' O ' ' A' ' 76' ' ' SER . 46.6 mm -45.51 -57.3 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.139 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.416 ' O ' ' C ' ' A' ' 81' ' ' ASN . 4.5 mm-40 -42.48 -61.38 1.23 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.897 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.429 ' CB ' ' O ' ' A' ' 49' ' ' ASP . 6.9 m-20 -36.03 -71.04 0.08 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.875 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 15.2 mt -51.54 -37.39 19.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.167 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -58.89 -47.71 84.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.868 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -52.6 -46.88 67.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.095 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' CYS . . . . . 0.428 ' HB3' ' CD1' ' A' ' 57' ' ' ILE . 68.4 m -58.42 -41.27 84.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.472 ' O ' HD13 ' A' ' 96' ' ' ILE . 50.7 mt -65.96 -49.71 66.92 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.894 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 69.9 m-80 -65.5 -34.26 77.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.882 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 6.6 t80 -70.11 -37.66 75.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.878 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.411 HD21 HG23 ' A' ' 57' ' ' ILE . 29.1 mt -73.07 -39.88 65.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.971 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -54.12 -45.77 72.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.098 179.769 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -57.5 -22.46 44.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.13 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 20.4 mmtp -84.87 -19.37 32.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 114.66 35.64 1.38 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.453 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.444 HD11 ' CB ' ' A' ' 122' ' ' TYR . 58.0 mt -120.63 125.72 74.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.843 0.354 . . . . 0.0 111.086 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -65.06 128.47 35.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.476 ' O ' ' N ' ' A' ' 99' ' ' LEU . 29.6 pt -128.31 -30.81 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.118 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.437 ' N ' HG13 ' A' ' 96' ' ' ILE . 39.3 mm-40 -35.85 -47.73 0.53 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -58.76 -40.36 94.87 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.544 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.476 ' N ' ' O ' ' A' ' 96' ' ' ILE . 44.8 mt -66.66 179.84 0.99 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.856 0.36 . . . . 0.0 110.938 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 16.3 m -157.4 113.16 2.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.845 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -49.06 -50.01 38.71 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.083 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -49.25 -53.89 19.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.856 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -56.08 -44.42 78.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.866 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.598 HG22 ' O ' ' A' ' 47' ' ' VAL . 39.6 mt -58.87 -42.06 84.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.133 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 20.2 ttt-85 -64.73 -29.03 70.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.898 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 -77.04 -22.1 53.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 94.94 20.18 29.14 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.501 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' ASN . . . . . 0.838 ' O ' HD12 ' A' ' 112' ' ' ILE . 14.9 t-20 -67.17 108.26 2.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.873 0.368 . . . . 0.0 110.892 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.586 HD11 ' HB2' ' A' ' 20' ' ' LYS . 9.7 tp -47.31 -57.48 5.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.894 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.713 ' HE2' HD11 ' A' ' 16' ' ' LEU . 21.3 mmtt -45.38 -28.54 0.88 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.879 179.859 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -82.22 -61.55 1.87 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.109 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.838 HD12 ' O ' ' A' ' 108' ' ' ASN . 5.1 mp -49.71 -54.36 7.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.124 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.42 ' O ' ' CB ' ' A' ' 117' ' ' PHE . 71.4 mt -46.86 -39.58 12.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -62.39 -38.61 96.56 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.472 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.996 HD23 ' N ' ' A' ' 116' ' ' PHE . 0.2 OUTLIER -67.4 -58.96 3.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.859 0.361 . . . . 0.0 110.937 -179.899 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.996 ' N ' HD23 ' A' ' 115' ' ' LEU . 10.6 m-85 -65.43 -16.83 64.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 117' ' ' PHE . . . . . 0.42 ' CB ' ' O ' ' A' ' 113' ' ' LEU . 1.8 t80 -72.72 -35.73 67.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.89 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 41.5 p -94.38 -47.14 6.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.863 -179.804 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 9.2 tp -46.2 -49.71 16.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.925 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 9.1 t -53.95 -44.68 70.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 46.4 mtp85 -55.45 -50.2 70.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.857 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 122' ' ' TYR . . . . . 0.444 ' CB ' HD11 ' A' ' 94' ' ' ILE . 3.2 t80 -42.26 -36.55 1.26 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.907 -179.866 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 123' ' ' LYS . . . . . 0.433 ' O ' ' C ' ' A' ' 124' ' ' GLN . 19.1 tptt -85.29 -50.8 7.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.939 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 124' ' ' GLN . . . . . 0.433 ' C ' ' O ' ' A' ' 123' ' ' LYS . 32.9 mm-40 -34.39 -49.62 0.39 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.885 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 94.3 mt-30 -80.56 -48.32 12.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.942 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 36.9 tp60 -59.26 88.89 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.944 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 36.3 mm-40 -129.95 -51.04 1.13 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.928 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -47.35 145.11 4.04 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.631 0.729 . . . . 0.0 110.887 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo . . . . . 0 C--N 1.342 0.209 0 C-N-CA 122.681 2.254 . . . . 0.0 112.378 179.945 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 N-CA-C 112.438 -0.265 . . . . 0.0 112.438 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.1 t -135.3 115.96 13.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.862 0.363 . . . . 0.0 110.866 -179.736 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.7 m -81.74 -48.35 11.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.853 -179.795 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 148.98 110.93 0.57 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.471 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.8 t -44.35 122.63 3.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.885 0.374 . . . . 0.0 110.869 -179.748 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.7 t -66.29 112.94 4.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.857 -179.798 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -89.77 178.55 43.98 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.487 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 55.2 mttm -76.1 -61.68 1.86 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.813 0.339 . . . . 0.0 110.886 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 13.1 ttp180 -152.2 133.59 14.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.848 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 7.4 mtpm? -145.04 159.14 50.72 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.532 0.682 . . . . 0.0 110.912 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 110.22 2.51 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.736 2.29 . . . . 0.0 112.334 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 14.6 p -135.25 132.73 52.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.109 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 5.2 mp -99.96 151.29 5.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.109 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.598 ' CG ' HD11 ' A' ' 22' ' ' ILE . 82.8 m-70 -108.44 84.07 1.88 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.835 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.439 ' O ' ' C ' ' A' ' 16' ' ' LEU . . . -51.06 165.96 0.7 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.443 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.439 ' C ' ' O ' ' A' ' 15' ' ' GLY . 53.6 mt -35.4 -59.0 0.56 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.817 0.342 . . . . 0.0 110.931 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -53.2 -46.35 68.99 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.903 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -59.68 -41.72 91.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.857 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.64 ' HA ' HD12 ' A' ' 22' ' ' ILE . 86.0 mt-30 -52.63 -51.85 58.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.926 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.414 ' N ' HD21 ' A' ' 113' ' ' LEU . 41.1 tttt -38.36 -55.27 1.38 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.941 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.4 tpp180 -54.05 -52.07 62.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.87 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.64 HD12 ' HA ' ' A' ' 19' ' ' GLN . 85.0 mt -45.15 -44.47 3.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.074 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 31.2 m-85 -71.92 -50.65 27.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.937 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.428 ' O ' ' ND2' ' A' ' 28' ' ' ASN . 98.0 m -40.71 -52.22 2.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.176 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -61.59 -39.93 92.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.858 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 75.1 t90 -60.08 -47.69 84.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.931 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.572 ' HB1' HG12 ' A' ' 56' ' ' ILE . . . -70.73 -41.13 72.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.076 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.428 ' ND2' ' O ' ' A' ' 24' ' ' THR . 1.8 m-80 -48.19 -52.69 19.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 8.0 t60 -43.08 -52.5 5.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.882 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 91.1 m-85 -60.74 -30.2 69.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.945 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.579 HD11 HD21 ' A' ' 52' ' ' LEU . 10.9 mt -74.92 -41.29 59.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.906 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -70.56 -45.58 65.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.095 179.789 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 4.3 ptmm? -59.88 -34.68 73.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.929 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.3 t -88.86 31.57 0.85 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.832 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 47.18 70.66 0.66 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.507 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.47 ' CB ' ' O ' ' A' ' 31' ' ' LEU . 3.9 t-80 -131.11 95.72 3.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.872 0.368 . . . . 0.0 110.868 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 45.1 mttp -48.9 -54.14 16.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.932 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.478 ' HG2' ' N ' ' A' ' 39' ' ' LEU . 23.5 ttm180 -64.92 148.66 51.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.867 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.478 ' N ' ' HG2' ' A' ' 38' ' ' ARG . 83.0 mt -129.36 -175.16 3.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.917 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.771 HG23 ' CG ' ' A' ' 46' ' ' ASP . 97.3 mt -98.99 113.22 33.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.148 179.833 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 28.0 mtp180 -88.14 -60.56 1.93 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.846 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.45 ' N ' ' OD1' ' A' ' 46' ' ' ASP . 28.5 m-20 -115.15 98.45 6.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.921 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.592 HD11 ' CE2' ' A' ' 116' ' ' PHE . 12.0 tp -46.91 -33.4 4.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.602 ' CD ' HD13 ' A' ' 109' ' ' LEU . 6.4 mt-30 -70.02 -41.3 74.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.89 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 18.6 mt-30 -100.38 14.1 32.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.771 ' CG ' HG23 ' A' ' 40' ' ' ILE . 0.9 OUTLIER -102.74 -35.98 8.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 179.947 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.413 ' O ' HG22 ' A' ' 104' ' ' ILE . 23.0 m -102.91 34.91 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.092 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 34.9 p -84.48 -36.84 21.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.12 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.474 ' O ' ' CB ' ' A' ' 81' ' ' ASN . 0.4 OUTLIER -97.37 -20.37 17.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.851 179.88 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 89.04 -28.99 6.19 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.482 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 84.8 t -46.76 -64.59 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.829 0.347 . . . . 0.0 111.119 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.579 HD21 HD11 ' A' ' 31' ' ' LEU . 2.4 tt -57.14 -39.03 74.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.783 HD11 HD11 ' A' ' 57' ' ' ILE . 5.4 tp -53.92 -54.95 31.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -54.29 -44.9 72.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.084 179.802 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 72.1 mt-30 -39.39 -37.0 0.41 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.909 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.572 HG12 ' HB1' ' A' ' 27' ' ' ALA . 5.1 mp -85.01 -47.21 17.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.13 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.783 HD11 HD11 ' A' ' 53' ' ' LEU . 62.0 mt -53.99 -58.92 2.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.143 179.808 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -47.99 -31.35 5.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.906 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 41.5 t -78.58 -67.39 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.076 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.471 HG12 ' O ' ' A' ' 56' ' ' ILE . 7.1 p -53.51 -23.26 7.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.199 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -99.94 -12.53 19.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.141 179.831 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 9.5 m-80 56.09 41.51 29.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.912 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -145.4 162.37 37.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.1 tppt? -111.75 136.14 51.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.858 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.463 ' HB ' ' CG1' ' A' ' 68' ' ' ILE . 18.8 mt -99.2 110.75 27.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.134 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -74.77 -28.5 60.77 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.888 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.415 ' O ' ' HB2' ' A' ' 84' ' ' ALA . 1.7 m-20 -79.49 43.57 0.56 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.878 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.463 ' CG1' ' HB ' ' A' ' 65' ' ' ILE . 36.5 mm -116.44 134.17 60.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.114 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 11.7 t-20 -123.44 100.31 6.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -80.76 37.44 2.3 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.494 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 3.3 t -134.94 57.39 21.15 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.585 0.707 . . . . 0.0 110.884 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.85 80.13 0.93 Allowed 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.676 2.251 . . . . 0.0 112.263 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 8.2 mmtp -87.82 -47.3 8.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.952 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -99.51 149.23 23.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 9.8 ptt-85 -47.49 -25.79 1.2 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.87 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.451 ' O ' ' N ' ' A' ' 79' ' ' ILE . 4.5 m -80.6 -48.66 12.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.89 -179.784 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.433 ' C ' ' O ' ' A' ' 76' ' ' SER . 10.5 mm100 -35.53 -55.03 0.68 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.919 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 17.1 mtt -50.6 -43.74 56.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.875 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.451 ' N ' ' O ' ' A' ' 76' ' ' SER . 48.4 mm -41.58 -64.2 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.155 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.428 ' O ' ' C ' ' A' ' 81' ' ' ASN . 8.4 mp0 -42.3 -61.02 1.28 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.474 ' CB ' ' O ' ' A' ' 49' ' ' ASP . 54.4 m-20 -35.83 -64.4 0.31 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.883 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 22.7 mt -58.83 -40.71 80.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.116 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -52.62 -55.25 23.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.854 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.415 ' HB2' ' O ' ' A' ' 67' ' ' ASP . . . -47.55 -42.34 23.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.076 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 60.9 m -63.39 -49.06 75.27 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.907 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.474 ' O ' HD13 ' A' ' 96' ' ' ILE . 61.6 mt -55.12 -48.49 73.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.941 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 66.9 m-80 -69.15 -42.16 76.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.42 ' CD1' ' C ' ' A' ' 88' ' ' PHE . 1.9 t80 -58.62 -48.07 82.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.426 HD22 ' CD1' ' A' ' 94' ' ' ILE . 95.9 mt -59.16 -49.55 77.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.933 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -47.31 -41.99 20.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.124 179.801 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -63.75 -36.25 83.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.126 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 52.8 mmtt -69.81 -28.5 65.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 123.15 39.67 0.51 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.509 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.486 HD11 ' HB2' ' A' ' 122' ' ' TYR . 73.8 mt -121.98 126.32 74.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.796 0.332 . . . . 0.0 111.153 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -71.21 110.83 6.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.474 HD13 ' O ' ' A' ' 86' ' ' LEU . 36.8 pt -104.24 -29.55 2.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.136 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.416 ' C ' ' O ' ' A' ' 96' ' ' ILE . 13.3 mt-30 -36.87 116.69 0.46 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.883 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 123.75 -38.03 2.55 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.485 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 90.4 mt -62.87 176.84 0.63 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.783 0.325 . . . . 0.0 110.918 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 16.7 m -150.73 106.57 3.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.843 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -46.12 -43.05 14.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.131 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -60.07 -55.35 35.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.877 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -50.77 -40.83 55.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.873 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.413 HG22 ' O ' ' A' ' 47' ' ' VAL . 82.6 mt -65.89 -41.08 89.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.164 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 12.2 ttt-85 -62.09 -36.35 81.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.91 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 80.9 m-20 -70.74 -26.49 63.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.922 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 97.25 34.13 5.72 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.441 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' ASN . . . . . 0.781 ' O ' HD12 ' A' ' 112' ' ' ILE . 53.3 t30 -78.6 108.33 11.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.866 0.365 . . . . 0.0 110.89 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.602 HD13 ' CD ' ' A' ' 44' ' ' GLN . 9.4 tp -40.8 -52.69 2.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.935 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 14.5 mmtm -47.39 -42.24 21.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.879 179.814 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -70.47 -61.73 1.66 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.113 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.781 HD12 ' O ' ' A' ' 108' ' ' ASN . 5.3 mp -48.58 -63.65 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.175 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.473 ' CD1' ' HG ' ' A' ' 109' ' ' LEU . 67.9 mt -41.19 -41.5 1.83 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.943 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -63.05 -52.01 51.02 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.492 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.716 HD23 ' N ' ' A' ' 116' ' ' PHE . 0.1 OUTLIER -50.78 -51.88 46.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.913 0.387 . . . . 0.0 110.921 -179.953 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.716 ' N ' HD23 ' A' ' 115' ' ' LEU . 9.2 m-85 -73.15 -32.34 64.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.918 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 117' ' ' PHE . . . . . 0.482 ' CD1' ' C ' ' A' ' 117' ' ' PHE . 3.3 t80 -61.26 -33.76 74.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.888 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 25.5 m -94.64 -50.89 4.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.796 -179.731 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.4 ' O ' ' HB3' ' A' ' 122' ' ' TYR . 13.5 tp -41.35 -58.32 1.89 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.943 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 43.6 t -40.41 -48.28 2.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.846 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 55.5 mtp180 -40.87 -46.62 2.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.853 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 122' ' ' TYR . . . . . 0.486 ' HB2' HD11 ' A' ' 94' ' ' ILE . 23.4 t80 -43.62 -48.74 7.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.904 -179.85 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 123' ' ' LYS . . . . . 0.434 ' O ' ' C ' ' A' ' 124' ' ' GLN . 14.1 tptp -83.82 -53.03 5.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.893 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 124' ' ' GLN . . . . . 0.434 ' C ' ' O ' ' A' ' 123' ' ' LYS . 18.5 mm100 -34.84 -45.78 0.27 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.909 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -61.05 -62.1 2.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.908 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -69.65 82.96 0.43 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.944 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 67.5 mt-30 -89.02 107.05 18.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.907 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 128' ' ' GLN . . . . . 0.437 ' N ' ' CD ' ' A' ' 129' ' ' PRO . 23.7 mp0 57.66 54.58 6.67 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.573 0.701 . . . . 0.0 110.895 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 129' ' ' PRO . . . . . 0.437 ' CD ' ' N ' ' A' ' 128' ' ' GLN . 53.5 Cg_endo . . . . . 0 C--N 1.341 0.164 0 C-N-CA 122.668 2.245 . . . . 0.0 112.347 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.509 -0.237 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 79.6 p -152.76 170.05 21.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.865 0.364 . . . . 0.0 110.834 -179.714 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 77.7 p -174.38 149.86 1.39 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.844 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 120.33 123.91 3.11 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.54 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 84.3 p -154.77 144.85 21.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.912 0.387 . . . . 0.0 110.848 -179.687 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 65.9 p -153.85 149.5 27.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.9 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -131.48 135.29 8.13 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.524 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 58.5 mttt -115.93 109.14 17.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.761 0.315 . . . . 0.0 110.902 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 11.5 mpt_? -74.0 81.58 1.71 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 14.2 pttt -134.6 143.6 47.3 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.583 0.706 . . . . 0.0 110.892 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 107.34 1.83 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.689 2.26 . . . . 0.0 112.338 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 5.8 p -145.2 138.64 21.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.148 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 34.5 mm -87.8 144.53 9.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.115 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.635 ' CG ' HD11 ' A' ' 22' ' ' ILE . 54.8 m80 -107.57 83.51 1.82 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.861 179.864 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.435 ' O ' ' C ' ' A' ' 16' ' ' LEU . . . -41.31 161.22 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.502 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.464 HD11 ' NZ ' ' A' ' 110' ' ' LYS . 55.3 mt -35.57 -56.81 0.65 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.788 0.328 . . . . 0.0 110.899 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -55.36 -45.15 76.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.434 ' HB2' ' C ' ' A' ' 14' ' ' HIS . 1.7 m-20 -58.14 -36.92 73.67 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.866 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.574 ' HA ' HD12 ' A' ' 22' ' ' ILE . 62.8 mt-30 -59.93 -46.0 90.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.92 -179.887 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.674 ' HB2' HD11 ' A' ' 109' ' ' LEU . 42.6 tttt -42.55 -45.35 4.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.923 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 24.7 ttp180 -66.33 -54.42 24.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.893 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.635 HD11 ' CG ' ' A' ' 14' ' ' HIS . 95.2 mt -39.05 -52.91 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.097 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.45 ' CD1' ' HB3' ' A' ' 116' ' ' PHE . 38.4 m-85 -64.06 -49.34 72.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.912 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 98.5 m -43.31 -60.86 1.53 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.118 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.406 ' C ' ' OD1' ' A' ' 25' ' ' ASP . 20.2 t0 -52.9 -45.84 67.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.823 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 68.1 t90 -53.17 -51.36 62.3 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.874 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.637 ' HB1' HG12 ' A' ' 56' ' ' ILE . . . -64.02 -45.21 89.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.062 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.938 ' OD1' HD22 ' A' ' 39' ' ' LEU . 2.1 m-80 -42.92 -54.26 4.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.866 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.427 ' CE1' ' HD3' ' A' ' 33' ' ' LYS . 0.1 OUTLIER -41.58 -52.08 3.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.832 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.735 ' CE2' HG23 ' A' ' 60' ' ' VAL . 97.5 m-85 -57.81 -32.58 67.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 -179.829 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.628 HD11 HD21 ' A' ' 52' ' ' LEU . 18.0 mt -75.77 -54.16 7.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.956 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.19 -37.73 78.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.089 179.781 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.427 ' HD3' ' CE1' ' A' ' 29' ' ' HIS . 27.6 pttt -71.05 -31.26 67.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.907 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 4.6 t -85.85 -2.13 57.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.892 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 83.78 69.11 1.39 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.502 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 9.9 m80 -128.13 137.91 52.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.874 0.368 . . . . 0.0 110.824 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 27.1 mtpp -93.99 -26.75 16.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 15.0 ttm180 -94.35 117.25 29.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.833 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.938 HD22 ' OD1' ' A' ' 28' ' ' ASN . 62.0 mt -93.39 176.51 6.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.891 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.801 HG23 ' CB ' ' A' ' 46' ' ' ASP . 83.7 mt -92.77 95.46 5.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.122 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 76.4 mtm180 -69.29 -61.97 1.57 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.869 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.463 ' O ' ' N ' ' A' ' 45' ' ' GLN . 0.5 OUTLIER -114.99 99.74 7.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.844 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.493 HD11 ' CE2' ' A' ' 116' ' ' PHE . 15.8 tp -33.75 -59.44 0.4 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.925 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 1.011 ' O ' HG23 ' A' ' 48' ' ' THR . 7.3 mt-30 -48.01 -44.35 30.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.923 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.463 ' N ' ' O ' ' A' ' 42' ' ' ASP . 11.9 mm100 -77.52 -20.43 54.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.939 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.801 ' CB ' HG23 ' A' ' 40' ' ' ILE . 0.2 OUTLIER -81.65 -6.17 58.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.823 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 26.0 m -124.33 -22.26 2.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.135 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' THR . . . . . 1.011 HG23 ' O ' ' A' ' 44' ' ' GLN . 15.0 p -48.34 -44.86 34.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.146 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -81.6 -29.97 33.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.898 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 87.36 -27.82 6.07 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.487 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 60.1 t -56.55 -65.63 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.845 0.355 . . . . 0.0 111.145 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.628 HD21 HD11 ' A' ' 31' ' ' LEU . 1.5 tt -57.63 -35.8 70.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.92 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.593 ' O ' HD12 ' A' ' 53' ' ' LEU . 1.2 tp -56.82 -53.74 54.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.91 179.866 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -58.89 -43.01 90.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.133 179.776 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.642 ' O ' HG23 ' A' ' 59' ' ' VAL . 42.2 mt-30 -40.15 -37.15 0.58 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.891 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.637 HG12 ' HB1' ' A' ' 27' ' ' ALA . 3.2 mp -80.09 -52.98 13.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.183 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.619 ' CG2' ' CE1' ' A' ' 88' ' ' PHE . 55.8 mt -47.71 -49.0 10.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.109 179.813 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -56.56 -38.24 71.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.905 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.642 HG23 ' O ' ' A' ' 55' ' ' GLN . 58.0 t -73.34 -67.26 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.122 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.735 HG23 ' CE2' ' A' ' 30' ' ' TYR . 14.7 p -52.09 -30.37 12.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.102 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.532 ' HB3' ' O ' ' A' ' 57' ' ' ILE . . . -92.97 -16.64 24.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.085 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 59.4 m-20 61.41 39.53 15.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.881 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -141.85 164.36 30.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.927 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 6.6 ptmt -112.98 137.99 50.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.872 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.454 ' HB ' ' CG1' ' A' ' 68' ' ' ILE . 12.8 mt -107.36 108.93 26.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.131 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -74.33 -16.52 60.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.894 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.422 ' HB3' ' HB2' ' A' ' 84' ' ' ALA . 8.5 m-20 -87.0 34.75 0.68 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.867 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.454 ' CG1' ' HB ' ' A' ' 65' ' ' ILE . 31.1 mm -115.92 146.66 20.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.095 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.447 ' O ' ' C ' ' A' ' 70' ' ' GLY . 19.5 t30 -107.26 107.08 17.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.915 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.447 ' C ' ' O ' ' A' ' 69' ' ' ASN . . . -34.26 -58.39 0.67 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.484 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 43.3 t -139.72 118.19 8.72 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.589 0.709 . . . . 0.0 110.876 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 127.46 14.63 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.667 2.245 . . . . 0.0 112.312 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 35.9 mttt -103.66 -35.26 8.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -102.22 155.97 17.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.849 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.405 ' C ' ' HD3' ' A' ' 75' ' ' ARG . 0.2 OUTLIER -58.97 -28.19 66.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.873 -179.949 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.497 ' O ' ' N ' ' A' ' 78' ' ' MET . 4.0 m -88.75 -40.92 12.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.818 -179.754 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 11.9 mm-40 -37.77 -27.75 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.907 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.497 ' N ' ' O ' ' A' ' 76' ' ' SER . 9.5 mtt -70.04 -46.62 64.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.857 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.461 ' N ' ' O ' ' A' ' 76' ' ' SER . 26.0 mm -41.33 -53.71 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.132 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -49.46 -45.5 46.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.871 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -50.09 -65.88 0.49 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.919 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 33.4 mt -57.42 -43.81 83.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.105 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -51.58 -55.69 17.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.862 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.422 ' HB2' ' HB3' ' A' ' 67' ' ' ASP . . . -48.71 -44.74 38.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.105 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' CYS . . . . . 0.435 ' HB3' ' CD1' ' A' ' 57' ' ' ILE . 60.2 m -61.06 -49.11 78.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.876 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 41.9 mt -56.01 -49.69 72.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.92 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 69.2 m-80 -67.35 -36.35 81.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.923 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.619 ' CE1' ' CG2' ' A' ' 57' ' ' ILE . 0.4 OUTLIER -64.01 -39.21 93.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 88.2 mt -67.29 -43.84 80.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.948 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -57.04 -38.7 73.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.12 179.773 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -65.77 -32.48 74.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.11 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 61.5 mmtt -73.09 -23.43 60.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 117.1 39.24 0.82 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.506 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.631 HD11 ' HB2' ' A' ' 122' ' ' TYR . 71.3 mt -121.98 144.01 32.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.858 0.361 . . . . 0.0 111.165 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -84.12 111.64 19.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.923 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 27.1 pt -106.84 -23.62 4.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.129 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 41.4 mm-40 -39.06 127.69 1.66 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.905 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 115.12 -37.8 3.36 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.485 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 72.4 mt -68.49 172.04 6.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.811 0.338 . . . . 0.0 110.908 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 5.9 m -149.87 111.13 4.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -46.5 -40.18 12.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.106 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -63.14 -53.91 46.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.856 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 53.9 mm-40 -50.7 -43.82 57.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 66.0 mt -60.36 -44.84 96.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.112 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.465 ' O ' HG22 ' A' ' 48' ' ' THR . 0.8 OUTLIER -53.51 -42.12 67.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.882 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 16.1 m-80 -64.48 -29.09 70.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.866 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 99.13 26.13 9.06 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.524 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' ASN . . . . . 0.745 ' O ' HD12 ' A' ' 112' ' ' ILE . 14.2 t30 -70.33 99.48 1.56 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.853 0.359 . . . . 0.0 110.882 -179.876 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.674 HD11 ' HB2' ' A' ' 20' ' ' LYS . 9.4 tp -36.02 -60.36 0.55 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.895 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.464 ' NZ ' HD11 ' A' ' 16' ' ' LEU . 12.8 mmtm -39.85 -46.92 2.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 179.852 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -64.63 -63.56 1.09 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.08 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.745 HD12 ' O ' ' A' ' 108' ' ' ASN . 5.4 mp -48.41 -65.33 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.132 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.483 HD11 ' HG ' ' A' ' 109' ' ' LEU . 96.5 mt -35.78 -39.77 0.16 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -61.43 -51.53 57.28 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.485 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.987 HD23 ' N ' ' A' ' 116' ' ' PHE . 0.2 OUTLIER -50.77 -59.71 3.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.852 0.358 . . . . 0.0 110.927 -179.91 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.987 ' N ' HD23 ' A' ' 115' ' ' LEU . 11.0 m-85 -63.72 -32.78 74.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.886 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 21.8 t80 -57.66 -36.91 72.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.885 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 4.0 m -92.54 -52.0 4.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.864 -179.785 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 6.7 tp -41.71 -50.8 4.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.934 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 34.6 p -49.37 -44.08 44.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.863 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 66.3 mtp180 -48.38 -52.09 23.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.9 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 122' ' ' TYR . . . . . 0.631 ' HB2' HD11 ' A' ' 94' ' ' ILE . 25.8 t80 -40.2 -55.42 2.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.953 -179.867 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 123' ' ' LYS . . . . . 0.407 ' O ' ' C ' ' A' ' 124' ' ' GLN . 23.8 tptt -70.3 -49.04 53.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.9 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 124' ' ' GLN . . . . . 0.407 ' C ' ' O ' ' A' ' 123' ' ' LYS . 74.2 mt-30 -37.77 -64.47 0.39 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.905 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 22.5 mt-30 -41.64 -61.43 1.09 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.901 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -77.54 52.02 0.94 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.903 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -40.55 127.88 2.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.928 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 4.5 pm0 -71.18 146.33 92.24 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.594 0.712 . . . . 0.0 110.884 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--N 1.342 0.186 0 C-N-CA 122.697 2.265 . . . . 0.0 112.346 -179.996 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 N-CA-C 112.489 -0.245 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.5 m -66.43 148.87 51.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.922 0.392 . . . . 0.0 110.846 -179.744 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 90.4 p -113.75 136.93 52.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.851 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -90.95 -151.02 25.87 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.475 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.7 m -113.34 129.71 56.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.9 0.381 . . . . 0.0 110.796 -179.657 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.4 t -73.21 98.78 2.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.839 -179.83 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 170.04 114.3 0.31 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.492 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.98 38.1 4.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.757 0.313 . . . . 0.0 110.883 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 9.6 mmm180 -69.77 -53.33 18.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.866 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 34.4 mmtm -58.81 154.25 37.99 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.572 0.701 . . . . 0.0 110.891 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 132.27 22.91 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.707 2.271 . . . . 0.0 112.317 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.572 HG21 ' CD2' ' A' ' 14' ' ' HIS . 13.2 p -109.32 164.01 6.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.111 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.566 ' N ' HG22 ' A' ' 12' ' ' VAL . 3.7 mt -118.82 -32.2 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.174 179.869 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.657 ' CG ' HD11 ' A' ' 22' ' ' ILE . 66.5 m170 62.36 50.81 3.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.87 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.482 ' N ' ' HB2' ' A' ' 18' ' ' ASP . . . -42.61 166.61 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.463 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.692 HD11 ' NZ ' ' A' ' 110' ' ' LYS . 17.4 mt -42.27 -51.32 4.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.762 0.315 . . . . 0.0 110.922 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -65.94 -40.7 91.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.918 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.482 ' HB2' ' N ' ' A' ' 15' ' ' GLY . 24.0 m-20 -60.22 -39.1 85.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.876 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 -58.7 -40.84 84.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.895 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.56 ' HB2' HD11 ' A' ' 109' ' ' LEU . 47.2 tttt -48.87 -33.43 10.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.906 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.459 ' CZ ' ' HB2' ' A' ' 21' ' ' ARG . 0.4 OUTLIER -75.63 -47.56 25.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.854 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.657 HD11 ' CG ' ' A' ' 14' ' ' HIS . 94.1 mt -48.4 -51.04 11.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.119 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.579 ' CD1' ' HB3' ' A' ' 116' ' ' PHE . 34.6 m-85 -68.34 -47.52 67.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.948 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.468 ' O ' ' ND2' ' A' ' 28' ' ' ASN . 26.3 m -43.77 -51.57 7.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.104 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -66.74 -39.56 87.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.895 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 66.0 t90 -53.82 -49.53 68.17 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.852 ' HB1' HG12 ' A' ' 56' ' ' ILE . . . -69.35 -39.19 78.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.114 179.872 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.931 ' OD1' HD22 ' A' ' 39' ' ' LEU . 1.8 m-80 -48.85 -33.22 10.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.903 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 17.2 t60 -63.75 -45.06 91.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.845 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.427 ' HA ' ' CD ' ' A' ' 33' ' ' LYS . 92.8 m-85 -69.5 -16.1 63.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.931 -179.882 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 34.5 mt -89.81 -51.36 5.54 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.901 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.73 -23.55 67.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.143 179.735 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.427 ' CD ' ' HA ' ' A' ' 30' ' ' TYR . 9.9 ptmm? -78.44 -35.92 46.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.864 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.7 m -82.9 2.07 36.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.865 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 80.94 66.21 1.64 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.493 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 10.3 m80 -119.37 141.22 49.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.869 0.366 . . . . 0.0 110.852 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 43.3 mttm -95.24 -25.19 16.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.869 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.431 ' NH1' ' HB3' ' A' ' 38' ' ' ARG . 17.2 ttm105 -95.78 140.94 29.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.866 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.931 HD22 ' OD1' ' A' ' 28' ' ' ASN . 28.4 mt -115.23 -179.84 3.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.943 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.846 HG23 ' CG ' ' A' ' 46' ' ' ASP . 62.2 mt -99.34 115.14 39.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.159 179.821 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 8.3 mmp_? -95.3 -56.42 2.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.858 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.495 ' N ' ' OD2' ' A' ' 46' ' ' ASP . 0.5 OUTLIER -111.65 98.87 7.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.857 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.583 HD11 ' CE2' ' A' ' 116' ' ' PHE . 13.0 tp -51.76 -27.28 11.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -74.45 -40.46 61.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.934 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 17.9 mt-30 -100.86 7.32 43.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.942 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.846 ' CG ' HG23 ' A' ' 40' ' ' ILE . 2.1 m-20 -97.54 -3.4 39.82 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.67 HG12 ' HB2' ' A' ' 53' ' ' LEU . 35.1 m -130.43 0.73 2.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.15 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.579 HG22 ' O ' ' A' ' 105' ' ' ARG . 1.1 p -58.32 -40.82 83.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.106 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.87 ' OD1' HG23 ' A' ' 51' ' ' VAL . 15.6 t0 -85.09 -29.1 25.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.885 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 86.62 -11.0 65.2 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.499 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.87 HG23 ' OD1' ' A' ' 49' ' ' ASP . 54.5 t -69.14 -67.54 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.857 0.361 . . . . 0.0 111.148 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.612 HD23 ' O ' ' A' ' 52' ' ' LEU . 1.7 tt -55.99 -29.03 59.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.954 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.67 ' HB2' HG12 ' A' ' 47' ' ' VAL . 1.1 tp -64.79 -61.99 1.85 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.931 179.85 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -50.16 -38.1 37.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.077 179.786 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.672 ' O ' HG23 ' A' ' 59' ' ' VAL . 28.9 mt-30 -43.17 -36.03 1.58 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.884 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.852 HG12 ' HB1' ' A' ' 27' ' ' ALA . 4.5 mp -81.76 -53.53 11.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.123 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 30.6 mt -46.87 -58.4 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.092 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.405 ' CB ' ' O ' ' A' ' 63' ' ' GLU . 33.0 mt-30 -48.08 -24.87 1.22 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.898 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.672 HG23 ' O ' ' A' ' 55' ' ' GLN . 42.1 t -85.9 -65.0 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.152 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 6.8 p -54.95 -19.36 4.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.125 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.604 ' HB1' ' HE3' ' A' ' 92' ' ' LYS . . . -111.43 -3.82 15.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.08 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 45.4 t30 47.6 44.89 17.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.882 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.405 ' O ' ' CB ' ' A' ' 58' ' ' GLN . 5.0 tp10 -140.53 168.58 19.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.876 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 9.4 ttmm -118.65 139.34 51.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.906 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.469 ' CG2' HG12 ' A' ' 68' ' ' ILE . 32.9 mt -102.8 96.44 4.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.103 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -70.33 -7.25 41.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.87 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.438 ' O ' ' HB2' ' A' ' 84' ' ' ALA . 0.9 OUTLIER -95.21 30.33 2.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.875 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.469 HG12 ' CG2' ' A' ' 65' ' ' ILE . 30.8 mm -111.73 136.18 48.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.155 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 41.6 t30 -73.25 -72.74 0.24 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 121.48 -50.93 0.81 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.499 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 17.8 m -132.32 78.59 67.88 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.601 0.715 . . . . 0.0 110.859 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.454 ' CG ' ' OD2' ' A' ' 49' ' ' ASP . 54.2 Cg_endo -69.76 132.31 23.07 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.653 2.236 . . . . 0.0 112.367 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.409 ' C ' ' HD3' ' A' ' 73' ' ' LYS . 0.0 OUTLIER -121.62 -35.58 3.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.877 179.933 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.415 ' HB3' ' CG ' ' A' ' 77' ' ' GLN . 27.7 t-20 -78.98 167.07 21.63 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.891 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 13.4 tpp180 -68.27 -45.73 72.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.893 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.403 ' O ' ' N ' ' A' ' 79' ' ' ILE . 5.6 m -79.6 -33.3 41.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.897 -179.84 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.415 ' CG ' ' HB3' ' A' ' 74' ' ' ASN . 26.7 mm-40 -38.01 -46.47 1.0 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.945 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 12.6 mtt -59.82 -45.3 92.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.869 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.403 ' N ' ' O ' ' A' ' 76' ' ' SER . 37.2 mm -42.52 -55.65 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.113 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 33.4 mm-40 -49.96 -55.86 12.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -38.29 -67.05 0.22 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.898 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 20.4 mt -57.17 -37.68 57.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.115 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -54.95 -49.94 70.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.861 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.438 ' HB2' ' O ' ' A' ' 67' ' ' ASP . . . -52.09 -39.11 59.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.064 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 59.3 m -67.5 -45.24 76.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.86 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.461 ' O ' HD13 ' A' ' 96' ' ' ILE . 56.4 mt -60.5 -48.13 83.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.927 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 70.2 m-80 -65.91 -34.49 78.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.854 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.469 ' CZ ' ' HE2' ' A' ' 92' ' ' LYS . 3.2 t80 -65.97 -51.7 56.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.875 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 93.6 mt -53.61 -38.49 64.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.907 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -61.92 -35.15 77.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.133 179.764 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -68.68 -32.5 72.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.101 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.604 ' HE3' ' HB1' ' A' ' 61' ' ' ALA . 42.5 mmtt -70.51 -24.28 62.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.878 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 117.9 37.05 0.91 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.504 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.793 HD11 ' HB2' ' A' ' 122' ' ' TYR . 66.1 mt -118.69 148.28 21.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.786 0.327 . . . . 0.0 111.17 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -89.09 112.97 24.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.921 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.461 HD13 ' O ' ' A' ' 86' ' ' LEU . 18.8 pt -110.39 -13.37 11.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.106 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 23.1 mt-30 -46.95 100.31 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.897 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 144.02 -38.94 1.3 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.512 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 26.8 mt -63.89 179.26 0.53 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.859 0.362 . . . . 0.0 110.93 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 10.5 m -158.22 108.47 2.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -43.56 -42.83 5.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.111 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -57.82 -51.29 70.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.94 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -55.92 -48.22 76.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.89 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 47.5 mt -58.84 -43.83 89.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.142 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.579 ' O ' HG22 ' A' ' 48' ' ' THR . 5.8 ttt-85 -61.66 -30.07 70.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.874 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -72.98 -26.96 61.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.901 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 97.16 31.34 6.94 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.495 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' ASN . . . . . 0.545 ' O ' HD12 ' A' ' 112' ' ' ILE . 51.4 t-20 -81.6 114.64 20.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.869 0.366 . . . . 0.0 110.884 -179.878 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.56 HD11 ' HB2' ' A' ' 20' ' ' LYS . 8.9 tp -50.83 -39.8 54.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.937 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.692 ' NZ ' HD11 ' A' ' 16' ' ' LEU . 15.9 mmtm -59.1 -26.12 64.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.866 179.838 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -86.83 -60.63 1.93 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.066 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.6 ' H ' HD12 ' A' ' 112' ' ' ILE . 4.5 mp -50.89 -55.13 7.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.122 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.474 ' CD1' ' HG ' ' A' ' 109' ' ' LEU . 71.8 mt -47.55 -42.38 23.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.947 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -60.6 -41.5 98.85 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.484 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.967 HD23 ' N ' ' A' ' 116' ' ' PHE . 0.1 OUTLIER -62.43 -57.17 12.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.863 0.363 . . . . 0.0 110.902 -179.947 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.967 ' N ' HD23 ' A' ' 115' ' ' LEU . 10.9 m-85 -66.3 -17.28 64.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.869 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 117' ' ' PHE . . . . . 0.482 ' CD1' ' C ' ' A' ' 117' ' ' PHE . 3.6 t80 -75.82 -36.96 59.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.877 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 16.4 m -92.76 -39.48 11.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.829 -179.777 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.536 ' O ' HD12 ' A' ' 119' ' ' LEU . 2.0 tp -54.03 -55.28 28.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.919 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.4 t -46.49 -44.48 17.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.856 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 33.5 mtp85 -46.85 -51.07 17.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.905 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 122' ' ' TYR . . . . . 0.793 ' HB2' HD11 ' A' ' 94' ' ' ILE . 12.3 t80 -39.54 -54.55 1.96 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 -179.828 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 123' ' ' LYS . . . . . 0.44 ' O ' ' C ' ' A' ' 124' ' ' GLN . 13.5 tptp -75.49 -54.59 6.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.874 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 124' ' ' GLN . . . . . 0.44 ' C ' ' O ' ' A' ' 123' ' ' LYS . 51.1 mm-40 -34.34 -57.29 0.5 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.941 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 14.2 tt0 -67.39 -39.9 85.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 9.0 tm0? -62.09 97.69 0.09 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.927 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 29.9 mm-40 -143.6 136.44 27.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 13.2 mt-30 -128.46 145.76 57.18 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.595 0.712 . . . . 0.0 110.918 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--N 1.341 0.139 0 C-N-CA 122.684 2.256 . . . . 0.0 112.322 -179.979 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 N-CA-C 112.461 -0.256 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 43.8 p -149.98 156.89 42.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.904 0.383 . . . . 0.0 110.875 -179.767 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 44.9 m -139.01 146.28 40.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.874 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -112.87 124.73 6.75 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.462 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.1 t -62.33 147.43 48.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.873 0.368 . . . . 0.0 110.896 -179.787 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.4 m -118.54 -50.16 2.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 -179.811 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -89.67 63.95 3.2 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.505 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 27.9 tttm -152.29 107.23 3.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.778 0.323 . . . . 0.0 110.898 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 15.8 ttm180 -174.13 119.05 0.25 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.852 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.502 ' CG ' ' HD2' ' A' ' 11' ' ' PRO . 5.4 ttpt -46.14 141.92 4.36 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.565 0.698 . . . . 0.0 110.894 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.502 ' HD2' ' CG ' ' A' ' 10' ' ' LYS . 54.0 Cg_endo -69.77 137.59 35.78 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.651 2.234 . . . . 0.0 112.387 179.874 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 7.3 p -55.32 140.31 13.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.129 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.453 HD13 ' HA ' ' A' ' 13' ' ' ILE . 9.3 mm -70.66 143.94 14.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.165 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.416 ' O ' ' CG ' ' A' ' 19' ' ' GLN . 1.6 m80 -112.47 61.33 0.63 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.421 ' O ' ' C ' ' A' ' 16' ' ' LEU . . . -44.52 144.71 2.18 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.479 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.47 ' O ' HD11 ' A' ' 113' ' ' LEU . 23.5 mt -35.98 -59.29 0.61 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.768 0.318 . . . . 0.0 110.908 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.422 ' HA ' HD21 ' A' ' 109' ' ' LEU . 2.0 pm0 -61.1 -38.71 87.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.922 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.407 ' N ' ' O ' ' A' ' 15' ' ' GLY . 70.0 m-20 -65.8 -25.57 67.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.85 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.416 ' CG ' ' O ' ' A' ' 14' ' ' HIS . 22.6 mt-30 -69.31 -40.57 77.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.912 -179.881 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 17.0 ttmt -46.39 -56.35 6.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.917 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 13.6 ttm180 -54.87 -52.71 61.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.845 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 74.1 mt -44.86 -48.47 2.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.125 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.537 ' CG ' ' HB3' ' A' ' 116' ' ' PHE . 25.3 m-85 -68.88 -45.47 70.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.923 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.455 ' CG2' ' O ' ' A' ' 40' ' ' ILE . 66.8 m -46.65 -56.53 5.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.137 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -59.03 -38.52 79.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.877 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.405 ' CZ2' ' HA ' ' A' ' 120' ' ' SER . 72.9 t90 -58.05 -53.15 61.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.902 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.59 ' HB2' ' HE1' ' A' ' 116' ' ' PHE . . . -67.53 -37.62 83.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.139 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.487 HD21 HD13 ' A' ' 39' ' ' LEU . 3.9 m-20 -46.71 -41.08 14.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.42 ' CE1' ' HB3' ' A' ' 33' ' ' LYS . 0.4 OUTLIER -57.18 -64.53 0.85 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.828 179.965 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 95.0 m-85 -45.31 -33.42 2.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.95 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.541 HD11 HD11 ' A' ' 56' ' ' ILE . 15.8 mt -72.48 -47.51 48.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.943 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -65.8 -53.44 40.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.072 179.803 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.422 ' HE3' ' CG1' ' A' ' 59' ' ' VAL . 10.1 pttp -52.47 -33.47 44.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.431 ' O ' ' C ' ' A' ' 35' ' ' GLY . 4.5 t -92.83 31.68 1.36 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.864 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.431 ' C ' ' O ' ' A' ' 34' ' ' SER . . . 35.6 60.45 0.78 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.496 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.628 ' CE1' ' HB3' ' A' ' 38' ' ' ARG . 10.6 t-160 -90.42 -18.22 25.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.851 0.358 . . . . 0.0 110.85 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 33.0 mmtt 54.64 39.42 31.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.628 ' HB3' ' CE1' ' A' ' 36' ' ' HIS . 11.0 ttt85 -170.03 153.85 4.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.898 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.487 HD13 HD21 ' A' ' 28' ' ' ASN . 61.9 mt -130.8 170.06 14.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.899 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.659 HG23 ' HB2' ' A' ' 46' ' ' ASP . 66.6 mt -95.61 109.55 22.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.157 179.864 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 7.4 ttm180 -77.72 -61.08 2.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.878 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.429 ' OD1' ' N ' ' A' ' 42' ' ' ASP . 0.3 OUTLIER -114.88 113.5 24.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.91 179.935 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.943 HD11 ' CE2' ' A' ' 116' ' ' PHE . 11.1 tp -60.14 -36.93 78.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 64.1 mt-30 -70.58 -15.62 62.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.918 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.469 ' HA ' HG23 ' A' ' 48' ' ' THR . 4.2 mm100 -116.18 -6.21 11.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.659 ' HB2' HG23 ' A' ' 40' ' ' ILE . 0.4 OUTLIER -84.37 -34.82 23.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.828 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.677 HG12 ' HB2' ' A' ' 53' ' ' LEU . 26.6 m -103.47 33.33 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.125 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.469 HG23 ' HA ' ' A' ' 45' ' ' GLN . 18.0 p -86.03 -35.09 20.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.143 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -104.22 -14.56 15.79 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.853 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 79.53 -14.38 17.78 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.513 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 98.2 t -61.44 -70.37 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.865 0.364 . . . . 0.0 111.074 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.489 HD23 ' O ' ' A' ' 52' ' ' LEU . 2.4 tt -54.88 -36.41 65.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.677 ' HB2' HG12 ' A' ' 47' ' ' VAL . 2.1 tp -55.79 -55.84 27.66 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.89 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.416 ' O ' ' C ' ' A' ' 55' ' ' GLN . . . -54.68 -47.26 73.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.075 179.829 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.465 ' O ' HG23 ' A' ' 59' ' ' VAL . 59.6 mt-30 -36.38 -37.77 0.13 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.973 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.558 HG12 ' HB1' ' A' ' 27' ' ' ALA . 3.3 mp -80.52 -56.98 5.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.133 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.594 HD11 HD11 ' A' ' 53' ' ' LEU . 41.4 mt -43.34 -55.41 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.125 179.85 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -52.3 -30.95 30.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.912 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.465 HG23 ' O ' ' A' ' 55' ' ' GLN . 71.6 t -81.48 -63.41 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.13 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 7.4 p -55.23 -22.22 10.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.117 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -107.76 -6.06 17.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.074 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 57.7 t30 52.59 31.76 10.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.943 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -125.2 168.43 13.46 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.859 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.448 ' CE ' ' O ' ' A' ' 65' ' ' ILE . 0.0 OUTLIER -123.33 136.13 54.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.845 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.448 ' O ' ' CE ' ' A' ' 64' ' ' LYS . 6.4 mt -104.91 118.54 52.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.147 179.844 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -91.67 -14.49 29.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.92 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -85.0 23.52 1.21 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.846 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 48.2 mm -100.66 121.94 52.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.084 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -49.79 -45.81 50.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.845 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 98.3 -65.86 0.77 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.483 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 5.8 m -126.67 72.32 74.15 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.629 0.728 . . . . 0.0 110.886 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 133.67 26.18 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.701 2.267 . . . . 0.0 112.356 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.421 ' C ' ' HD3' ' A' ' 73' ' ' LYS . 0.0 OUTLIER -129.1 -36.36 1.76 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.902 179.921 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.409 ' CB ' ' HG3' ' A' ' 77' ' ' GLN . 28.8 t30 -66.1 178.78 1.06 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.895 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 8.9 tpp180 -72.5 -47.01 52.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 52.3 p -85.99 -31.06 22.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.862 -179.814 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.409 ' HG3' ' CB ' ' A' ' 74' ' ' ASN . 11.4 mt-30 -43.67 -37.0 2.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.911 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.445 ' SD ' ' NH1' ' A' ' 105' ' ' ARG . 17.4 mtt -75.04 -38.99 61.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.878 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.478 ' CD1' ' HA ' ' A' ' 102' ' ' GLU . 3.7 mm -55.15 -48.93 75.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.135 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -48.49 -40.94 28.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.891 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -50.24 -69.47 0.11 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.848 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.697 ' H ' HD12 ' A' ' 82' ' ' ILE . 4.8 mp -50.15 -42.37 19.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.151 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -53.88 -50.55 66.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.842 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -55.6 -42.37 74.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.061 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 26.7 m -65.9 -36.77 84.32 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.831 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.449 ' O ' HD13 ' A' ' 96' ' ' ILE . 92.8 mt -65.67 -43.8 88.22 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.971 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 69.2 m-80 -71.69 -36.67 70.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.917 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.477 ' CD1' ' C ' ' A' ' 88' ' ' PHE . 1.3 t80 -64.27 -42.1 96.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.858 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.496 HD22 HD12 ' A' ' 94' ' ' ILE . 29.0 mt -66.94 -42.16 85.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.95 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -56.93 -27.15 60.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.08 179.805 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -76.0 -30.63 58.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.109 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.472 ' HB3' ' CE2' ' A' ' 122' ' ' TYR . 69.0 mmtt -76.43 -11.79 59.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.913 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 106.62 31.21 4.04 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.452 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.689 HD11 ' CB ' ' A' ' 122' ' ' TYR . 94.4 mt -110.69 143.87 19.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.861 0.362 . . . . 0.0 111.102 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -85.17 118.91 25.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.882 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.449 HD13 ' O ' ' A' ' 86' ' ' LEU . 30.7 pt -113.13 -14.51 10.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.154 179.883 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -46.93 107.03 0.1 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 131.62 -40.64 1.61 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.498 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.418 HD21 ' HA3' ' A' ' 114' ' ' GLY . 56.1 mt -69.3 136.84 52.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.805 0.336 . . . . 0.0 110.962 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.445 ' CB ' ' HG3' ' A' ' 103' ' ' GLU . 1.1 m -120.74 118.25 29.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.859 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -48.33 -44.95 34.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.081 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.478 ' HA ' ' CD1' ' A' ' 79' ' ' ILE . 12.9 tt0 -58.12 -43.17 87.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.914 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.445 ' HG3' ' CB ' ' A' ' 100' ' ' SER . 12.2 mt-10 -70.44 -37.27 74.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.89 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.435 HG12 ' HB1' ' A' ' 111' ' ' ALA . 18.9 mt -68.5 -42.58 83.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.126 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.445 ' NH1' ' SD ' ' A' ' 78' ' ' MET . 1.0 OUTLIER -61.05 -39.29 89.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.86 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 25.0 m-20 -68.19 -28.48 67.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 106.85 23.53 7.07 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.537 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' ASN . . . . . 0.805 ' O ' HD12 ' A' ' 112' ' ' ILE . 3.9 t-20 -63.93 99.19 0.24 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.864 0.364 . . . . 0.0 110.859 -179.819 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.422 HD21 ' HA ' ' A' ' 17' ' ' GLU . 17.4 tp -39.16 -52.28 1.91 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.883 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.418 ' HE3' HD11 ' A' ' 16' ' ' LEU . 19.1 mmtp -47.72 -44.41 27.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.902 179.84 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 111' ' ' ALA . . . . . 0.435 ' HB1' HG12 ' A' ' 104' ' ' ILE . . . -69.26 -62.74 1.26 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.107 179.813 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.805 HD12 ' O ' ' A' ' 108' ' ' ASN . 5.2 mp -43.92 -64.11 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.117 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.47 HD11 ' O ' ' A' ' 16' ' ' LEU . 66.0 mt -41.96 -38.23 1.54 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.895 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 114' ' ' GLY . . . . . 0.418 ' HA3' HD21 ' A' ' 99' ' ' LEU . . . -62.2 -37.54 94.69 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.522 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 1.023 HD23 ' N ' ' A' ' 116' ' ' PHE . 0.2 OUTLIER -66.03 -62.85 1.27 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.891 0.376 . . . . 0.0 110.945 -179.957 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 1.023 ' N ' HD23 ' A' ' 115' ' ' LEU . 18.0 m-85 -62.36 -15.54 49.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -76.59 -41.84 44.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.847 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 49.1 m -88.46 -41.55 12.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.834 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.469 ' HA ' HD13 ' A' ' 94' ' ' ILE . 2.1 tp -48.64 -58.01 5.37 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.95 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 120' ' ' SER . . . . . 0.405 ' HA ' ' CZ2' ' A' ' 26' ' ' TRP . 2.0 m -45.62 -43.63 12.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.819 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 63.0 mtp85 -48.42 -52.5 21.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.838 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 122' ' ' TYR . . . . . 0.689 ' CB ' HD11 ' A' ' 94' ' ' ILE . 3.9 t80 -41.99 -52.94 4.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.913 -179.842 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 123' ' ' LYS . . . . . 0.432 ' O ' ' C ' ' A' ' 124' ' ' GLN . 15.2 tptp -70.19 -53.53 16.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.883 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 124' ' ' GLN . . . . . 0.432 ' C ' ' O ' ' A' ' 123' ' ' LYS . 55.7 mm-40 -35.94 -50.06 0.66 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.879 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -71.9 -41.24 68.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.939 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 48.4 mm-40 -71.68 80.38 0.84 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 -108.33 126.41 52.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.919 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 22.9 mp0 -54.19 153.11 9.93 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.618 0.723 . . . . 0.0 110.883 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--N 1.341 0.18 0 C-N-CA 122.676 2.251 . . . . 0.0 112.344 179.974 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.461 -0.256 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.8 t -67.48 -45.41 75.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.907 0.384 . . . . 0.0 110.888 -179.766 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.6 m -131.29 152.44 50.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.831 -179.791 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -82.21 -129.33 1.21 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.491 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.4 p -113.18 144.28 42.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.837 0.351 . . . . 0.0 110.898 -179.736 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 72.2 m -68.08 -62.21 1.51 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.815 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 125.99 151.03 7.8 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.464 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.3 mtpm? -95.13 87.71 4.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.761 0.315 . . . . 0.0 110.865 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 32.5 ttm-85 66.56 38.71 4.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.868 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.5 ' CG ' ' HD2' ' A' ' 11' ' ' PRO . 10.1 tttm -87.29 141.87 32.99 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.545 0.688 . . . . 0.0 110.937 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.5 ' HD2' ' CG ' ' A' ' 10' ' ' LYS . 53.7 Cg_endo -69.75 129.5 17.72 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.663 2.242 . . . . 0.0 112.328 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 7.1 p -149.24 140.08 16.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.163 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 7.6 mt -130.02 147.22 33.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.137 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.427 ' O ' ' C ' ' A' ' 15' ' ' GLY . 50.3 m80 -110.77 86.01 2.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.863 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.493 ' O ' ' N ' ' A' ' 18' ' ' ASP . . . -36.07 152.9 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.455 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.41 ' C ' ' O ' ' A' ' 15' ' ' GLY . 61.3 mt -37.4 -48.17 0.92 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.78 0.324 . . . . 0.0 110.902 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.715 ' OE2' HD22 ' A' ' 109' ' ' LEU . 59.1 mm-40 -65.83 -37.26 85.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.493 ' N ' ' O ' ' A' ' 15' ' ' GLY . 1.3 m-20 -62.12 -38.4 88.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.906 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.453 ' HA ' HD12 ' A' ' 22' ' ' ILE . 75.5 mt-30 -59.08 -51.8 68.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.923 -179.889 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.449 ' C ' ' O ' ' A' ' 19' ' ' GLN . 42.6 tttt -34.13 -49.83 0.37 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.904 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.424 ' O ' ' C ' ' A' ' 22' ' ' ILE . 31.3 ttt180 -57.69 -61.64 2.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.888 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.453 HD12 ' HA ' ' A' ' 19' ' ' GLN . 82.2 mt -36.03 -44.03 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.144 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 27.3 m-85 -75.63 -49.87 17.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.94 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.441 ' O ' ' ND2' ' A' ' 28' ' ' ASN . 98.5 m -40.8 -45.6 2.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.093 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -68.52 -38.09 80.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.869 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' TRP . . . . . 0.469 ' CZ2' ' HA ' ' A' ' 120' ' ' SER . 33.0 t90 -55.35 -57.95 9.75 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.665 ' HB1' HG12 ' A' ' 56' ' ' ILE . . . -60.93 -54.88 39.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.112 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.45 ' OD1' HD22 ' A' ' 39' ' ' LEU . 1.8 m-80 -34.33 -51.48 0.45 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 9.5 t60 -48.03 -52.01 21.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.868 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 77.6 m-85 -60.97 -39.84 91.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.932 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.576 HD11 HD21 ' A' ' 52' ' ' LEU . 11.7 mt -66.09 -29.29 69.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.892 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -80.4 -51.9 8.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.058 179.818 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.0 ptmm? -56.98 -34.74 68.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 7.5 t -84.36 27.92 0.67 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.815 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 40.71 70.73 0.36 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.476 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.455 ' CB ' ' O ' ' A' ' 31' ' ' LEU . 7.8 t-80 -116.66 137.8 51.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.845 0.355 . . . . 0.0 110.862 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 10.5 ptpt -94.5 46.21 1.14 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.918 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 45.3 ttm-85 -173.6 140.29 0.78 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.843 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.45 HD22 ' OD1' ' A' ' 28' ' ' ASN . 82.0 mt -117.21 -174.88 2.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.917 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.6 HG23 ' CG ' ' A' ' 46' ' ' ASP . 86.0 mt -103.09 108.47 24.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.133 179.844 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 14.5 mmt180 -83.52 -62.98 1.44 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.919 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.495 ' N ' ' OD1' ' A' ' 46' ' ' ASP . 70.8 m-20 -112.93 98.18 7.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.867 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.621 HD11 ' CE2' ' A' ' 116' ' ' PHE . 13.3 tp -45.72 -36.31 4.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.927 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.618 ' CD ' HD13 ' A' ' 109' ' ' LEU . 6.3 mt-30 -68.85 -44.53 73.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.912 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 92.1 mt-30 -96.13 12.94 28.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.924 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.6 ' CG ' HG23 ' A' ' 40' ' ' ILE . 0.7 OUTLIER -102.55 -33.4 9.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.902 179.938 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.51 HG22 ' O ' ' A' ' 43' ' ' LEU . 34.5 m -106.76 38.42 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.165 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.4 HG23 ' O ' ' A' ' 44' ' ' GLN . 23.4 p -92.8 -35.55 13.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.118 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.497 ' O ' ' CB ' ' A' ' 81' ' ' ASN . 7.0 m-20 -93.42 -18.74 22.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.855 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 84.9 -28.9 4.34 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.503 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 86.0 t -52.66 -65.8 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.846 0.355 . . . . 0.0 111.117 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.576 HD21 HD11 ' A' ' 31' ' ' LEU . 2.0 tt -53.8 -39.82 65.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.906 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.667 HD11 HD11 ' A' ' 57' ' ' ILE . 5.4 tp -54.86 -55.52 29.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -54.14 -44.0 71.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.108 179.79 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 56.5 mt-30 -40.3 -32.98 0.21 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.966 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.665 HG12 ' HB1' ' A' ' 27' ' ' ALA . 5.2 mp -88.06 -51.36 12.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.122 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.667 HD11 HD11 ' A' ' 53' ' ' LEU . 70.9 mt -50.25 -55.6 5.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.125 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 39.9 mt-30 -49.99 -28.4 6.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 72.2 t -81.41 -69.1 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.108 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 7.5 p -50.07 -29.26 5.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.115 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -91.9 -26.73 18.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.13 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 10.6 m-80 71.87 39.2 0.86 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.904 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -145.51 162.91 36.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.901 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 6.7 tttp -111.14 136.53 50.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.935 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.437 ' HB ' ' CG1' ' A' ' 68' ' ' ILE . 13.6 mt -96.27 113.65 31.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.111 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -76.3 -24.74 54.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.511 ' O ' ' HB2' ' A' ' 84' ' ' ALA . 0.7 OUTLIER -82.55 44.04 0.86 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.848 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.437 ' CG1' ' HB ' ' A' ' 65' ' ' ILE . 31.3 mm -118.62 112.66 38.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.136 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.44 ' C ' ' OD1' ' A' ' 69' ' ' ASN . 13.1 t-20 -69.05 -59.67 2.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.922 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 76.79 127.34 0.29 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.474 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' CYS . . . . . 0.435 ' N ' ' CD ' ' A' ' 72' ' ' PRO . 56.1 m 66.75 55.02 0.84 Allowed Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.607 0.718 . . . . 0.0 110.899 -179.837 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.485 ' CG ' ' HG3' ' A' ' 78' ' ' MET . 53.1 Cg_endo -69.8 147.65 63.07 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.687 2.258 . . . . 0.0 112.344 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 58.4 mttt -116.98 -44.16 2.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.937 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.428 ' O ' ' N ' ' A' ' 77' ' ' GLN . 20.8 t-20 -83.98 133.31 34.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.923 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.492 ' HG2' ' CZ ' ' A' ' 105' ' ' ARG . 0.9 OUTLIER -38.77 -32.19 0.08 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.86 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.405 ' O ' ' N ' ' A' ' 79' ' ' ILE . 3.4 m -81.71 -42.86 19.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.814 -179.736 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.428 ' N ' ' O ' ' A' ' 74' ' ' ASN . 7.1 mt-30 -41.77 -27.44 0.11 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.895 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.485 ' HG3' ' CG ' ' A' ' 72' ' ' PRO . 1.5 mpt? -75.07 -44.52 47.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.405 ' N ' ' O ' ' A' ' 76' ' ' SER . 40.3 mm -41.33 -56.02 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.12 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.408 ' O ' ' C ' ' A' ' 81' ' ' ASN . 27.2 mt-10 -44.66 -60.17 2.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.93 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.497 ' CB ' ' O ' ' A' ' 49' ' ' ASP . 2.7 m-20 -37.46 -66.91 0.21 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.9 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 37.2 mt -55.82 -40.32 60.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.147 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -53.87 -52.41 60.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.853 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.511 ' HB2' ' O ' ' A' ' 67' ' ' ASP . . . -49.66 -42.17 44.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.092 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 59.8 m -64.42 -47.85 77.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.811 ' O ' HG21 ' A' ' 96' ' ' ILE . 54.0 mt -57.13 -48.57 78.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.903 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 68.6 m-80 -69.2 -41.96 76.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.573 ' CZ ' ' HE2' ' A' ' 92' ' ' LYS . 20.7 t80 -61.49 -39.51 91.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.855 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 72.9 mt -68.45 -49.06 62.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.927 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -44.43 -53.57 6.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.115 179.745 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -50.12 -32.75 16.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.112 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.573 ' HE2' ' CZ ' ' A' ' 88' ' ' PHE . 39.5 mmtm -70.95 -26.16 63.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.857 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 120.24 29.32 1.64 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.506 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.714 HD11 ' HB2' ' A' ' 122' ' ' TYR . 52.0 mt -113.31 154.22 14.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.856 0.36 . . . . 0.0 111.095 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' ASN . . . . . 0.446 ' N ' HG22 ' A' ' 94' ' ' ILE . 36.5 t30 -88.06 124.55 33.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.851 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.811 HG21 ' O ' ' A' ' 86' ' ' LEU . 19.8 pt -122.53 -31.55 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.159 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.467 ' N ' HG13 ' A' ' 96' ' ' ILE . 41.5 mt-30 -35.74 -59.12 0.59 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.901 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -49.87 -46.75 40.25 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.485 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 59.4 mt -59.9 176.76 0.28 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.848 0.356 . . . . 0.0 110.891 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 4.3 m -155.7 119.57 4.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.851 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -54.11 -50.69 66.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.08 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -50.68 -54.5 22.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.875 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -56.95 -45.4 82.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.868 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 76.5 mt -58.5 -50.27 79.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.104 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.492 ' CZ ' ' HG2' ' A' ' 75' ' ' ARG . 5.8 ttt-85 -52.98 -37.22 61.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.858 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 28.4 m120 -68.24 -28.3 67.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.891 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' GLY . . . . . 0.432 ' HA2' HD11 ' A' ' 112' ' ' ILE . . . 96.37 28.41 9.13 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.499 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 108' ' ' ASN . . . . . 0.559 ' O ' HD12 ' A' ' 112' ' ' ILE . 32.6 t30 -73.87 105.27 5.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.881 0.372 . . . . 0.0 110.902 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.715 HD22 ' OE2' ' A' ' 17' ' ' GLU . 8.6 tp -37.74 -49.75 1.17 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.892 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 29.8 mmtt -48.08 -42.24 28.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' ALA . . . . . 0.412 ' N ' ' O ' ' A' ' 108' ' ' ASN . . . -72.49 -64.09 1.02 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.083 179.829 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.68 ' H ' HD12 ' A' ' 112' ' ' ILE . 5.1 mp -43.7 -60.86 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.159 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.482 HD11 ' HG ' ' A' ' 109' ' ' LEU . 94.3 mt -43.79 -42.12 5.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.935 179.853 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -61.36 -47.59 89.94 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.486 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.884 HD23 ' N ' ' A' ' 116' ' ' PHE . 0.3 OUTLIER -55.14 -57.97 9.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.806 0.336 . . . . 0.0 110.882 -179.923 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.884 ' N ' HD23 ' A' ' 115' ' ' LEU . 10.7 m-85 -66.16 -27.97 68.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 117' ' ' PHE . . . . . 0.524 ' CD1' ' C ' ' A' ' 117' ' ' PHE . 1.8 t80 -64.28 -37.18 86.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.858 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 23.0 p -91.77 -48.76 6.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.862 -179.809 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.493 ' HA ' HD13 ' A' ' 94' ' ' ILE . 14.8 tp -42.76 -60.72 1.47 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.912 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 120' ' ' SER . . . . . 0.469 ' HA ' ' CZ2' ' A' ' 26' ' ' TRP . 5.8 t -37.9 -53.47 1.32 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.83 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 121' ' ' ARG . . . . . 0.405 ' C ' ' O ' ' A' ' 120' ' ' SER . 63.3 mtm180 -37.95 -45.54 0.88 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.846 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 122' ' ' TYR . . . . . 0.714 ' HB2' HD11 ' A' ' 94' ' ' ILE . 36.4 t80 -41.8 -56.7 2.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.901 -179.839 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 123' ' ' LYS . . . . . 0.483 ' O ' ' CB ' ' A' ' 126' ' ' GLN . 12.6 tptp -78.25 -53.89 6.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 124' ' ' GLN . . . . . 0.423 ' C ' ' O ' ' A' ' 123' ' ' LYS . 43.3 mt-30 -35.42 122.63 0.62 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.893 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 5.0 mm-40 47.22 38.96 7.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.865 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 126' ' ' GLN . . . . . 0.483 ' CB ' ' O ' ' A' ' 123' ' ' LYS . 3.7 tp60 -76.73 -46.93 23.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.888 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -51.68 -19.37 1.55 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.928 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 128' ' ' GLN . . . . . 0.408 ' C ' ' OE1' ' A' ' 128' ' ' GLN . 1.2 pp0? -159.6 127.01 2.68 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.551 0.691 . . . . 0.0 110.931 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--N 1.341 0.173 0 C-N-CA 122.641 2.227 . . . . 0.0 112.38 -179.992 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 N-CA-C 112.461 -0.256 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.5 t -107.7 99.02 8.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.85 0.357 . . . . 0.0 110.902 -179.753 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.8 t -71.86 121.5 19.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.881 -179.787 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 125.33 58.03 0.17 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.5 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 87.4 p -80.21 108.69 14.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.894 0.378 . . . . 0.0 110.833 -179.727 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 80.5 p -156.34 165.27 36.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.89 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -142.52 -161.21 8.68 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.543 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.7 mmmm -116.1 163.24 16.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.762 0.315 . . . . 0.0 110.92 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 45.3 ttt85 -123.61 41.67 3.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.903 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 27.1 mmtt -148.8 148.13 26.71 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.579 0.704 . . . . 0.0 110.908 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 122.92 9.58 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.735 2.29 . . . . 0.0 112.33 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 1.3 t -126.29 148.68 30.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.118 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 4.5 mt -55.27 -33.57 31.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.146 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.78 ' CG ' HD11 ' A' ' 22' ' ' ILE . 14.3 m-70 61.76 49.51 4.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.854 179.873 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.457 ' O ' ' N ' ' A' ' 18' ' ' ASP . . . -45.17 165.1 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.478 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.402 ' C ' ' O ' ' A' ' 15' ' ' GLY . 40.4 mt -37.62 -53.79 1.2 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.715 0.293 . . . . 0.0 110.879 -179.88 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -55.96 -38.9 70.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.457 ' N ' ' O ' ' A' ' 15' ' ' GLY . 0.6 OUTLIER -69.58 -48.49 60.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.826 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.575 ' HA ' HD12 ' A' ' 22' ' ' ILE . 29.5 mt-30 -47.49 -41.34 20.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 -179.871 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 50.1 tttt -48.34 -36.87 15.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 24.2 ttp180 -75.92 -59.15 2.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.851 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.78 HD11 ' CG ' ' A' ' 14' ' ' HIS . 41.5 mt -38.41 -37.73 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.131 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 -74.82 -52.05 12.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.964 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.611 HG22 ' OD1' ' A' ' 28' ' ' ASN . 89.8 m -41.34 -53.12 3.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.145 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 31.8 t0 -60.63 -35.91 77.32 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.888 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 72.9 t90 -62.57 -44.48 96.23 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.688 ' HB1' HG12 ' A' ' 56' ' ' ILE . . . -76.44 -39.31 53.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.076 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.611 ' OD1' HG22 ' A' ' 24' ' ' THR . 23.4 m120 -47.33 -47.34 25.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.926 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 44.3 t60 -53.29 -53.67 47.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.848 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 73.9 m-85 -57.9 -19.27 28.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.917 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.492 HD22 ' CD2' ' A' ' 36' ' ' HIS . 15.8 mt -88.66 -47.25 8.4 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.921 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.79 -32.82 73.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.085 179.81 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.4 ptmm? -62.93 -38.31 90.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.916 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 56.0 p -89.58 18.2 5.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.854 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 63.47 61.58 6.15 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.501 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.492 ' CD2' HD22 ' A' ' 31' ' ' LEU . 76.3 t60 -117.63 81.8 1.72 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.917 0.389 . . . . 0.0 110.852 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.436 ' C ' ' O ' ' A' ' 36' ' ' HIS . 35.9 mttp -34.19 -61.42 0.37 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.908 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.479 ' HG2' ' N ' ' A' ' 39' ' ' LEU . 57.4 ttm-85 -49.6 162.79 0.14 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.871 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.479 ' N ' ' HG2' ' A' ' 38' ' ' ARG . 50.7 mt -143.86 176.05 9.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.868 HG23 ' HB2' ' A' ' 46' ' ' ASP . 92.3 mt -98.24 114.75 36.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.126 179.858 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 14.1 mmt85 -82.88 -63.86 1.28 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.485 ' O ' ' N ' ' A' ' 45' ' ' GLN . 56.1 m-20 -114.78 100.69 8.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.842 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.712 HD11 ' CE2' ' A' ' 116' ' ' PHE . 14.9 tp -34.34 -37.12 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.903 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.419 ' N ' ' O ' ' A' ' 42' ' ' ASP . 49.8 mt-30 -63.83 -48.58 76.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.897 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.542 ' HA ' HG23 ' A' ' 48' ' ' THR . 15.7 mm100 -76.15 -25.98 55.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.933 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.868 ' HB2' HG23 ' A' ' 40' ' ' ILE . 0.2 OUTLIER -66.91 -11.58 56.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.876 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.658 ' O ' HG22 ' A' ' 104' ' ' ILE . 17.9 m -129.18 38.12 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.11 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.542 HG23 ' HA ' ' A' ' 45' ' ' GLN . 1.9 p -90.68 -33.86 15.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.182 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 30.4 p-10 -107.05 -15.39 14.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.838 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 85.41 -21.92 12.0 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.526 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 42.8 t -58.26 -67.56 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.925 0.393 . . . . 0.0 111.097 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.528 ' O ' HD12 ' A' ' 56' ' ' ILE . 0.9 OUTLIER -55.04 -33.1 62.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.947 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.644 ' HB2' HG12 ' A' ' 47' ' ' VAL . 2.0 tp -63.11 -51.0 68.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.883 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -62.91 -33.83 76.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.094 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -48.13 -26.14 1.75 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.868 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.688 HG12 ' HB1' ' A' ' 27' ' ' ALA . 5.0 mp -92.86 -57.3 4.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.159 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.5 HD11 HD11 ' A' ' 53' ' ' LEU . 57.4 mt -42.69 -54.77 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.154 179.838 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -50.44 -34.98 26.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 94.2 t -76.89 -65.26 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.104 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 6.6 p -54.34 -19.61 3.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.135 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -106.46 -9.21 16.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.103 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 62.8 t30 54.0 39.9 31.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -139.79 165.18 27.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.907 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 27.0 ttpt -116.75 137.71 52.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.863 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.428 ' HB ' ' CG1' ' A' ' 68' ' ' ILE . 17.4 mt -100.75 110.56 28.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.115 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -78.81 -10.58 59.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.871 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -94.41 38.88 1.09 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.887 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.428 ' CG1' ' HB ' ' A' ' 65' ' ' ILE . 23.2 mm -115.68 110.7 32.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.104 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 67.0 t30 -41.95 -48.89 4.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 100.44 -64.07 0.59 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.526 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 40.8 t -126.09 83.53 63.19 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.602 0.715 . . . . 0.0 110.853 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 137.37 35.28 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.696 2.264 . . . . 0.0 112.37 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 5.4 mtmp? -124.7 -34.23 2.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.855 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -90.46 169.4 11.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.887 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 4.2 ptp180 -71.44 -26.15 62.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.902 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.433 ' O ' ' N ' ' A' ' 79' ' ' ILE . 63.1 m -91.05 -36.27 14.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 -179.813 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -45.98 -26.62 0.75 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.972 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 18.7 mtt -81.85 -31.86 31.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.854 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.433 ' N ' ' O ' ' A' ' 76' ' ' SER . 26.9 mm -53.48 -50.78 47.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.129 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -55.7 -48.17 75.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.91 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 7.5 m-20 -45.41 -68.66 0.18 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.903 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 13.7 mt -52.56 -36.69 22.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.138 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -60.75 -44.53 96.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -55.77 -41.69 74.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.145 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 60.3 m -65.97 -42.5 89.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.449 ' O ' HD13 ' A' ' 96' ' ' ILE . 73.5 mt -62.38 -43.26 99.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.881 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 69.0 m-80 -73.04 -38.66 66.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.877 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.483 ' CD1' ' C ' ' A' ' 88' ' ' PHE . 1.3 t80 -63.04 -38.07 89.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.45 HD22 HD12 ' A' ' 94' ' ' ILE . 26.8 mt -68.52 -49.42 59.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.951 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -45.95 -46.87 16.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.118 179.786 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -59.13 -30.97 68.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.124 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.427 ' HB3' ' CE2' ' A' ' 122' ' ' TYR . 69.3 mmtt -75.58 -14.6 60.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.91 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 107.03 38.99 2.06 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.464 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.553 HD11 ' HB2' ' A' ' 122' ' ' TYR . 73.4 mt -120.54 129.38 75.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.852 0.358 . . . . 0.0 111.132 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -72.09 112.08 7.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.449 HD13 ' O ' ' A' ' 86' ' ' LEU . 30.9 pt -108.27 -21.1 5.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.093 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 16.9 mt-30 -42.77 119.17 1.4 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.949 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 121.94 -35.24 3.6 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.483 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 49.1 mt -69.01 171.86 7.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.851 0.358 . . . . 0.0 110.908 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 31.1 m -150.95 106.12 3.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.837 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -43.23 -40.61 3.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.149 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -60.24 -53.52 56.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 22.5 mm-40 -53.8 -44.73 70.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.872 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.658 HG22 ' O ' ' A' ' 47' ' ' VAL . 41.6 mt -58.03 -42.34 82.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.11 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 10.1 ttt85 -60.65 -33.29 72.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 63.5 m-20 -76.31 -18.37 58.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 90.74 35.82 7.1 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.482 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' ASN . . . . . 0.769 ' O ' HD12 ' A' ' 112' ' ' ILE . 11.3 t-20 -78.47 100.16 6.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.891 0.377 . . . . 0.0 110.871 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 4.4 tp -39.92 -65.07 0.43 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.927 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 12.5 mmtp -38.38 -34.23 0.12 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.94 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' ALA . . . . . 0.452 ' HB3' ' O ' ' A' ' 108' ' ' ASN . . . -76.36 -63.05 1.42 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.107 179.797 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.769 HD12 ' O ' ' A' ' 108' ' ' ASN . 5.3 mp -47.76 -58.83 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.134 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 75.8 mt -40.51 -47.28 2.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.915 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -55.51 -42.91 85.24 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.434 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.983 HD23 ' N ' ' A' ' 116' ' ' PHE . 0.1 OUTLIER -63.45 -57.88 8.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.853 0.358 . . . . 0.0 110.914 -179.922 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.983 ' N ' HD23 ' A' ' 115' ' ' LEU . 11.1 m-85 -66.15 -17.94 65.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.878 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 117' ' ' PHE . . . . . 0.473 ' CD1' ' C ' ' A' ' 117' ' ' PHE . 4.0 t80 -73.47 -36.83 65.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.874 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 118' ' ' SER . . . . . 0.411 ' OG ' HG23 ' A' ' 94' ' ' ILE . 8.0 t -93.27 -46.72 7.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.871 -179.792 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 5.5 tp -43.74 -53.04 6.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.969 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 56.7 p -52.27 -32.91 39.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.844 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 121' ' ' ARG . . . . . 0.482 ' CZ ' ' HB3' ' A' ' 121' ' ' ARG . 9.5 mtp-105 -61.07 -49.21 78.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.868 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 122' ' ' TYR . . . . . 0.553 ' HB2' HD11 ' A' ' 94' ' ' ILE . 4.8 t80 -41.62 -56.12 2.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.903 -179.854 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 9.1 tptp -63.24 -43.59 97.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.875 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 124' ' ' GLN . . . . . 0.427 ' O ' ' C ' ' A' ' 125' ' ' GLN . 18.7 mm100 -71.11 171.62 10.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.929 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 125' ' ' GLN . . . . . 0.427 ' C ' ' O ' ' A' ' 124' ' ' GLN . 31.0 mm-40 35.75 36.21 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.915 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -106.97 44.47 1.06 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 4.5 pp0? -125.68 36.7 4.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.941 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 42.9 tt0 -95.15 122.64 59.38 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.58 0.705 . . . . 0.0 110.887 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--N 1.341 0.17 0 C-N-CA 122.671 2.247 . . . . 0.0 112.327 179.964 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.365 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 42.3 mt -41.29 -55.33 2.74 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.792 0.33 . . . . 0.0 110.897 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -58.02 -37.95 75.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.909 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -65.11 -38.34 90.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.864 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.434 ' O ' ' C ' ' A' ' 20' ' ' LYS . 25.1 mt-30 -60.57 -50.16 74.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.87 -179.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.554 ' HB2' HD11 ' A' ' 109' ' ' LEU . 34.4 tttt -35.05 -36.53 0.06 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.885 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.446 ' O ' ' C ' ' A' ' 22' ' ' ILE . 1.6 tmt_? -75.84 -64.43 1.09 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.878 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.446 ' C ' ' O ' ' A' ' 21' ' ' ARG . 91.2 mt -33.85 -50.51 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.119 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.527 ' CD1' ' HB3' ' A' ' 116' ' ' PHE . 26.6 m-85 -64.1 -49.75 71.02 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.94 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.536 HG22 ' ND2' ' A' ' 28' ' ' ASN . 41.5 m -43.64 -48.09 7.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.109 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 34.5 t0 -65.4 -43.85 89.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.858 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . 0.419 ' CZ2' ' HA ' ' A' ' 120' ' ' SER . 91.7 t90 -55.02 -41.05 70.84 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.911 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.705 ' HB1' HD13 ' A' ' 56' ' ' ILE . . . -76.8 -56.64 4.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.113 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.536 ' ND2' HG22 ' A' ' 24' ' ' THR . 32.0 m-20 -38.7 -39.71 0.53 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.863 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -54.95 -44.2 74.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.858 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.648 ' CZ ' HG23 ' A' ' 60' ' ' VAL . 72.4 m-85 -69.86 -24.01 63.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 -179.795 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.566 HD11 HD21 ' A' ' 52' ' ' LEU . 15.2 mt -79.82 -56.92 3.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.934 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -57.0 -49.65 75.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.103 179.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 9.1 ptmt -46.62 -38.7 9.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.9 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 37.9 p -90.85 31.92 1.03 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 51.85 61.5 6.42 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.518 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.48 ' CD2' HD22 ' A' ' 31' ' ' LEU . 85.4 t60 -119.39 85.47 2.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.809 0.338 . . . . 0.0 110.864 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 36' ' ' HIS . 35.2 mttt -37.59 -71.28 0.08 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.865 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.41 ' O ' ' CD2' ' A' ' 36' ' ' HIS . 26.7 ttm180 -43.85 150.54 0.25 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.894 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.474 HD22 ' OD1' ' A' ' 28' ' ' ASN . 39.1 mt -133.17 179.91 5.9 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.903 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.823 HD11 HD11 ' A' ' 56' ' ' ILE . 95.9 mt -96.63 107.59 20.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.127 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 13.5 mmm-85 -83.66 -58.11 2.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.877 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.404 ' O ' ' N ' ' A' ' 45' ' ' GLN . 0.6 OUTLIER -115.0 101.33 8.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.863 179.943 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.538 HD11 ' CE2' ' A' ' 116' ' ' PHE . 13.7 tp -44.93 -41.71 7.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.934 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.547 ' CD ' HD13 ' A' ' 109' ' ' LEU . 31.3 mt-30 -66.35 -29.64 69.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.931 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.404 ' N ' ' O ' ' A' ' 42' ' ' ASP . 10.4 mt-30 -102.83 7.11 39.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.924 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.589 ' OD1' HD22 ' A' ' 52' ' ' LEU . 0.4 OUTLIER -100.64 -9.27 22.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.86 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.547 HG12 ' HB2' ' A' ' 53' ' ' LEU . 29.8 m -130.4 34.3 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.149 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 22.4 p -92.02 -25.02 19.01 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.131 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -108.81 -14.55 14.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.87 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 80.11 -17.08 10.29 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.456 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 91.0 t -61.79 -66.0 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.858 0.361 . . . . 0.0 111.126 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.61 ' O ' HD23 ' A' ' 52' ' ' LEU . 1.8 tt -59.32 -27.59 66.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.906 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.559 HD11 HD11 ' A' ' 57' ' ' ILE . 1.8 tp -65.76 -53.57 38.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.919 179.853 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.24 -37.04 81.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.099 179.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.501 ' O ' HG23 ' A' ' 59' ' ' VAL . 14.6 mt-30 -48.39 -22.89 0.78 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.94 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.823 HD11 HD11 ' A' ' 40' ' ' ILE . 11.6 mt -95.49 -48.83 12.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.107 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.559 HD11 HD11 ' A' ' 53' ' ' LEU . 47.2 mt -52.65 -54.66 14.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.148 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -53.61 -21.41 6.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.898 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.501 HG23 ' O ' ' A' ' 55' ' ' GLN . 85.5 t -86.24 -67.62 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.077 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.648 HG23 ' CZ ' ' A' ' 30' ' ' TYR . 13.9 p -52.95 -35.39 22.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.091 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -85.83 -24.47 26.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.059 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 8.3 m-80 68.18 38.89 2.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.914 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -139.55 160.26 40.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.2 139.27 41.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.4 ' HB ' ' CG1' ' A' ' 68' ' ' ILE . 20.1 mt -108.29 102.27 13.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.113 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -74.64 -14.46 60.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.916 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 64.0 m-20 -87.54 31.32 0.75 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.85 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.4 ' CG1' ' HB ' ' A' ' 65' ' ' ILE . 37.0 mm -111.83 118.62 58.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.158 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 59.9 t30 -44.83 -53.74 7.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.893 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 95.49 -47.95 1.9 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.542 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 92.1 m -129.53 80.87 71.07 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.672 0.748 . . . . 0.0 110.868 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.425 ' HB2' ' CG ' ' A' ' 78' ' ' MET . 53.7 Cg_endo -69.75 132.23 22.91 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.646 2.231 . . . . 0.0 112.303 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 22.9 mttt -127.95 -49.84 1.34 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 20.4 t30 -81.46 161.42 23.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.857 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.438 ' HB2' ' NH2' ' A' ' 105' ' ' ARG . 0.3 OUTLIER -61.96 -29.12 70.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.888 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 76.3 p -84.74 -45.46 12.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.876 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -41.77 -48.0 4.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.895 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . 0.425 ' CG ' ' HB2' ' A' ' 72' ' ' PRO . 14.4 mtt -54.75 -37.95 66.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.836 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 4.3 mm -53.28 -59.07 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.169 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -41.14 -43.16 2.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.939 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -54.01 -66.0 0.47 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.939 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 16.1 mt -56.52 -40.46 68.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.087 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -57.15 -51.07 70.8 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.806 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -54.7 -38.2 66.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.085 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 49.3 m -66.23 -40.29 90.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.908 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 67.8 mt -65.15 -49.53 69.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.897 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 57.1 m-80 -64.52 -35.25 80.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.915 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.41 ' CE1' ' CG2' ' A' ' 57' ' ' ILE . 1.7 t80 -67.13 -36.22 81.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.423 HD22 HD12 ' A' ' 94' ' ' ILE . 27.8 mt -72.46 -45.43 59.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -50.84 -44.88 59.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.094 179.777 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -60.89 -28.79 69.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.135 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 25.9 mmtp -77.88 -10.27 59.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 102.79 27.73 6.56 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.51 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.638 HD11 ' HB2' ' A' ' 122' ' ' TYR . 78.2 mt . . . . . 0 C--N 1.329 -0.287 0 CA-C-O 120.893 0.378 . . . . 0.0 111.122 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 71.7 mt -62.88 -178.41 0.21 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.85 0.357 . . . . 0.0 110.899 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 13.1 m -162.95 107.3 1.09 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.844 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -42.94 -44.14 4.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.112 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -57.78 -52.44 65.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.878 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 32.8 mm-40 -55.03 -42.04 72.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.401 HG22 ' O ' ' A' ' 47' ' ' VAL . 23.2 mt -65.15 -41.7 92.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.126 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.438 ' NH2' ' HB2' ' A' ' 75' ' ' ARG . 15.8 ttt-85 -61.03 -34.71 75.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.835 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 25.7 m-20 -72.62 -26.56 61.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.895 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 100.82 21.15 12.61 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.446 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . 0.721 ' O ' HD12 ' A' ' 112' ' ' ILE . 60.3 t30 -67.16 106.85 2.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.879 0.371 . . . . 0.0 110.923 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.554 HD11 ' HB2' ' A' ' 20' ' ' LYS . 10.3 tp -42.86 -63.95 0.71 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.907 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . 0.447 ' C ' ' O ' ' A' ' 109' ' ' LEU . 15.9 mmtm -34.32 -36.02 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 179.825 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . 0.44 ' N ' ' O ' ' A' ' 109' ' ' LEU . . . -78.0 -72.79 0.35 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.13 179.806 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.721 HD12 ' O ' ' A' ' 108' ' ' ASN . 5.3 mp -37.82 -52.28 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.149 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 17.0 mt -52.53 -46.91 66.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.905 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -57.69 -35.7 75.32 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.511 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.959 HD23 ' N ' ' A' ' 116' ' ' PHE . 0.2 OUTLIER -66.46 -57.21 7.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.839 0.352 . . . . 0.0 110.942 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.959 ' N ' HD23 ' A' ' 115' ' ' LEU . 12.4 m-85 -65.64 -14.76 61.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.879 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . 0.449 ' CD1' ' C ' ' A' ' 117' ' ' PHE . 3.3 t80 -78.56 -31.89 47.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 8.8 p -93.8 -42.4 9.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.877 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 12.5 tp -49.58 -59.1 4.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.928 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . 0.419 ' HA ' ' CZ2' ' A' ' 26' ' ' TRP . 41.4 t -44.3 -40.82 5.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 39.5 mtp85 -51.07 -54.45 24.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.896 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' TYR . . . . . 0.638 ' HB2' HD11 ' A' ' 94' ' ' ILE . 1.3 t80 -40.57 -50.56 2.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.914 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 21.5 tptt -67.4 -55.12 15.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.858 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 59.3 mm-40 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.893 -180.0 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.47 ' N ' ' HB2' ' A' ' 18' ' ' ASP . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.465 ' HB3' HD23 ' A' ' 109' ' ' LEU . 87.5 mt -43.87 -60.91 1.62 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.818 0.342 . . . . 0.0 110.957 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.491 ' HA ' HD21 ' A' ' 109' ' ' LEU . 1.5 pm0 -55.64 -36.68 67.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.891 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.47 ' HB2' ' N ' ' A' ' 15' ' ' GLY . 0.9 OUTLIER -64.21 -41.45 97.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.85 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.408 ' O ' ' C ' ' A' ' 20' ' ' LYS . 35.5 mt-30 -53.52 -51.69 62.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 19' ' ' GLN . 33.5 tttt -36.25 -46.28 0.51 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.918 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.444 ' HD2' ' N ' ' A' ' 22' ' ' ILE . 1.4 tmm_? -60.25 -57.85 11.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.444 ' N ' ' HD2' ' A' ' 21' ' ' ARG . 72.9 mt -44.84 -43.47 2.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.145 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 25.2 m-85 -73.05 -46.23 52.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.569 HG23 HG22 ' A' ' 40' ' ' ILE . 53.7 m -48.06 -55.85 9.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.135 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -64.09 -32.67 74.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.852 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 81.4 t90 -61.52 -47.26 86.42 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.907 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.506 ' HB1' HG12 ' A' ' 56' ' ' ILE . . . -70.52 -43.42 69.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.074 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.449 ' OD1' HD22 ' A' ' 39' ' ' LEU . 40.9 m-20 -46.65 -52.01 14.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.921 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -41.18 -43.9 2.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.86 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.522 ' CE2' ' HB ' ' A' ' 60' ' ' VAL . 96.8 m-85 -66.43 -44.64 82.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.915 -179.838 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.585 HD11 HD21 ' A' ' 52' ' ' LEU . 57.0 mt -62.86 -39.02 93.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.948 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -71.14 -52.51 18.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.1 179.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.467 ' NZ ' HG12 ' A' ' 59' ' ' VAL . 5.4 pttm -60.18 -30.81 69.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.911 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.9 t -80.78 -7.65 59.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.848 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.99 63.04 1.85 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.522 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 2.6 t-80 -116.62 156.6 26.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.864 0.364 . . . . 0.0 110.847 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 54.4 mmtt -94.0 -72.85 0.59 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.879 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 8.3 ttm-85 -63.59 131.69 48.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.906 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.449 HD22 ' OD1' ' A' ' 28' ' ' ASN . 39.6 mt -100.48 -175.14 2.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.943 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.569 HG22 HG23 ' A' ' 24' ' ' THR . 57.9 mt -96.71 102.57 13.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.164 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.404 ' N ' ' OD2' ' A' ' 46' ' ' ASP . 15.5 mmt-85 -79.46 -64.26 1.23 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.836 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -115.12 98.15 6.62 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.858 HD11 ' CE2' ' A' ' 116' ' ' PHE . 14.7 tp -43.52 -31.9 0.81 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.911 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.461 ' HG2' HD13 ' A' ' 112' ' ' ILE . 59.6 mt-30 -69.98 -40.22 75.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.639 ' HA ' HG23 ' A' ' 48' ' ' THR . 6.7 mm100 -84.57 -56.48 3.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.954 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.404 ' OD2' ' N ' ' A' ' 41' ' ' ARG . 28.4 m-20 -42.69 -23.66 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.839 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.726 HG22 ' O ' ' A' ' 43' ' ' LEU . 10.3 m -108.55 39.78 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.116 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.639 HG23 ' HA ' ' A' ' 45' ' ' GLN . 18.9 p -99.57 -27.43 13.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.128 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -108.04 -17.0 14.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 86.51 -21.31 18.51 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.509 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 70.0 t -54.55 -70.55 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.86 0.362 . . . . 0.0 111.138 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.662 ' O ' HD12 ' A' ' 56' ' ' ILE . 2.3 tt -54.61 -37.56 65.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.941 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.743 HD11 HD11 ' A' ' 57' ' ' ILE . 1.5 tp -56.3 -46.91 79.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.94 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -67.85 -38.99 83.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.071 179.82 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.7 ' O ' HG23 ' A' ' 59' ' ' VAL . 28.0 mt-30 -41.57 -30.23 0.21 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.921 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.662 HD12 ' O ' ' A' ' 52' ' ' LEU . 5.0 mp -92.14 -58.08 3.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.102 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.743 HD11 HD11 ' A' ' 53' ' ' LEU . 61.7 mt -39.22 -51.18 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.147 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 -60.58 -34.03 73.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.909 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.7 HG23 ' O ' ' A' ' 55' ' ' GLN . 69.4 t -74.57 -58.51 4.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.144 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.522 ' HB ' ' CE2' ' A' ' 30' ' ' TYR . 6.1 p -58.83 -25.95 30.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.08 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -98.53 -18.56 18.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.091 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 7.5 m120 65.82 30.78 9.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -133.24 159.76 39.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.847 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -108.06 137.5 45.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.886 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.41 ' HB ' ' CG1' ' A' ' 68' ' ' ILE . 35.6 mt -99.68 102.26 13.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.129 179.846 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -71.85 -9.66 58.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.839 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 46.1 t0 -94.32 34.98 1.22 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.863 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.41 ' CG1' ' HB ' ' A' ' 65' ' ' ILE . 29.3 mm -114.85 121.51 67.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.162 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 44.1 t30 -54.56 -52.96 60.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 101.28 -52.32 0.9 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.469 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 78.1 m -133.38 80.98 56.51 Favored Pre-proline 0 C--N 1.327 -0.378 0 CA-C-O 121.644 0.735 . . . . 0.0 110.853 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 122.79 9.46 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.693 2.262 . . . . 0.0 112.325 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 7.1 mmmm -110.96 -37.86 5.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.429 ' HB2' ' CG ' ' A' ' 77' ' ' GLN . 64.5 m-20 -79.92 166.57 21.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.916 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 1.1 tmt_? -72.69 -34.1 66.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.2 m -86.59 -29.02 22.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.429 ' CG ' ' HB2' ' A' ' 74' ' ' ASN . 6.4 mm-40 -48.19 -39.4 20.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.879 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 12.8 mtt -61.21 -43.1 99.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.848 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 20.8 mm -45.21 -58.0 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.149 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.418 ' O ' ' C ' ' A' ' 81' ' ' ASN . 20.6 mt-10 -44.18 -60.47 1.88 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.85 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.418 ' C ' ' O ' ' A' ' 80' ' ' GLU . 5.2 m-20 -36.16 -72.29 0.06 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 22.4 mt -48.93 -38.17 10.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.177 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -57.76 -49.99 74.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.897 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -52.59 -39.25 61.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.142 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 57.9 m -65.76 -37.79 87.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.885 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 82.0 mt -68.23 -42.83 79.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 69.2 m-80 -75.21 -33.74 61.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.88 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 12.3 t80 -67.92 -31.19 70.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.907 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 42.2 mt -79.12 -45.47 19.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.923 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -53.25 -42.92 66.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.113 179.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -60.55 -20.8 61.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.111 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 21.8 mmtp -86.56 -16.6 36.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 112.49 33.38 2.11 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.46 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.567 HD11 ' HB2' ' A' ' 122' ' ' TYR . 67.1 mt . . . . . 0 C--N 1.329 -0.326 0 CA-C-O 120.886 0.374 . . . . 0.0 111.096 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 39.3 mt -68.07 154.54 41.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.787 0.327 . . . . 0.0 110.921 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 7.0 m -134.64 108.16 7.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.829 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -43.52 -38.56 2.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.139 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -61.03 -53.35 58.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -52.82 -44.82 66.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.869 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 17.4 mt -59.1 -46.44 91.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.158 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 18.8 ttt-85 -58.23 -35.67 72.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.892 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 84.3 m-20 -72.61 -22.79 60.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 93.35 36.49 5.9 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.477 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . 0.761 ' O ' HD12 ' A' ' 112' ' ' ILE . 0.1 OUTLIER -80.9 102.23 9.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.882 0.372 . . . . 0.0 110.869 -179.853 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.491 HD21 ' HA ' ' A' ' 17' ' ' GLU . 2.6 tp -37.87 -55.3 1.21 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 12.6 mmtp -45.42 -40.75 8.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . 0.401 ' N ' ' O ' ' A' ' 108' ' ' ASN . . . -70.5 -63.66 1.05 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.14 179.793 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.761 HD12 ' O ' ' A' ' 108' ' ' ASN . 5.3 mp -46.75 -61.45 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.132 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 85.1 mt -44.82 -45.3 10.05 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.923 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -58.34 -32.91 68.95 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.511 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 1.02 HD23 ' N ' ' A' ' 116' ' ' PHE . 0.1 OUTLIER -73.26 -58.44 3.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.816 0.341 . . . . 0.0 110.916 -179.933 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 1.02 ' N ' HD23 ' A' ' 115' ' ' LEU . 12.1 m-85 -63.58 -20.48 65.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.851 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 12.8 t80 -70.54 -33.07 70.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 5.0 m -93.8 -43.6 8.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 10.4 tp -49.03 -57.83 5.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.928 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.3 t -42.34 -45.7 4.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.838 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 35.5 mtp85 -47.45 -50.94 21.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.863 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' TYR . . . . . 0.567 ' HB2' HD11 ' A' ' 94' ' ' ILE . 2.2 t80 -47.47 -51.35 20.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.967 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 27.9 tptt -64.21 -48.57 75.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.87 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.929 179.963 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.411 ' O ' ' N ' ' A' ' 18' ' ' ASP . . . . . . . . 0 N--CA 1.452 -0.287 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 76.0 mt -42.95 -46.6 5.47 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.768 0.318 . . . . 0.0 110.877 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -63.4 -32.59 74.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.88 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.411 ' N ' ' O ' ' A' ' 15' ' ' GLY . 8.5 m-20 -74.05 -33.96 63.9 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.407 ' O ' ' C ' ' A' ' 20' ' ' LYS . 22.4 mt-30 -64.06 -49.72 71.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.905 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.531 ' O ' HD22 ' A' ' 43' ' ' LEU . 31.2 tttt -37.39 -47.55 0.87 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.931 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.41 ' O ' ' N ' ' A' ' 24' ' ' THR . 5.5 tmm_? -67.15 -58.79 4.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 94.5 mt -40.44 -45.35 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.157 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.441 ' CG ' ' HB3' ' A' ' 116' ' ' PHE . 19.5 m-85 -70.08 -36.52 74.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.902 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.41 ' N ' ' O ' ' A' ' 21' ' ' ARG . 70.5 m -56.62 -66.54 0.42 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.154 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -48.64 -33.44 9.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.879 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . 0.566 ' CZ2' ' HA ' ' A' ' 120' ' ' SER . 90.3 t90 -65.33 -51.86 57.71 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.926 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.718 ' HB2' ' CE1' ' A' ' 116' ' ' PHE . . . -68.19 -51.99 39.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.132 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.589 ' OD1' HD12 ' A' ' 40' ' ' ILE . 1.3 m-20 -46.85 -40.41 13.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.85 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -51.4 -36.73 44.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.84 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.491 ' HB2' HG23 ' A' ' 56' ' ' ILE . 71.8 m-85 -73.03 -19.51 61.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.94 -179.84 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.772 HD11 HD21 ' A' ' 52' ' ' LEU . 32.0 mt -84.29 -42.16 16.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.947 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -72.21 -28.08 62.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.129 179.77 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 3.4 ptmm? -73.85 -39.72 63.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.862 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 31.4 m -82.28 12.79 4.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.868 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 61.65 52.92 47.68 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.43 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.584 ' CD2' ' HB3' ' A' ' 38' ' ' ARG . 65.5 t60 -93.34 134.04 35.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.84 0.352 . . . . 0.0 110.835 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 22.7 mmtm -86.98 50.97 2.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.903 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.584 ' HB3' ' CD2' ' A' ' 36' ' ' HIS . 23.8 ttm180 -175.62 163.45 2.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.866 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 50.0 mt -137.41 -178.06 5.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.93 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.794 HD11 HD11 ' A' ' 56' ' ' ILE . 81.8 mt -104.18 111.56 34.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.152 179.817 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 3.3 tpp85 -86.19 -61.05 1.83 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.872 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.495 ' O ' ' N ' ' A' ' 46' ' ' ASP . 3.3 m-20 -115.1 107.59 15.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.852 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.571 HD11 ' CE2' ' A' ' 116' ' ' PHE . 13.2 tp -54.58 -39.88 68.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.918 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.572 ' CD ' HD13 ' A' ' 109' ' ' LEU . 32.7 mt-30 -76.11 -1.98 28.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 70.2 mt-30 -129.89 -1.65 4.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.903 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.708 ' OD1' HG13 ' A' ' 47' ' ' VAL . 0.4 OUTLIER -93.01 -16.23 25.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.833 179.948 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.708 HG13 ' OD1' ' A' ' 46' ' ' ASP . 18.0 m -118.02 34.09 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.085 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 37.7 p -92.71 -33.14 14.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.14 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -97.68 -10.77 24.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.896 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 70.16 -1.74 17.2 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.485 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 66.8 t -74.12 -69.39 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.814 0.34 . . . . 0.0 111.157 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.772 HD21 HD11 ' A' ' 31' ' ' LEU . 1.7 tt -56.29 -35.65 67.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.944 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.579 HD11 HD11 ' A' ' 57' ' ' ILE . 6.0 tp -52.52 -58.81 5.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.954 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -53.82 -46.73 71.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.1 179.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.509 ' O ' HG23 ' A' ' 59' ' ' VAL . 18.6 mt-30 -41.72 -28.04 0.13 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.92 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.794 HD11 HD11 ' A' ' 40' ' ' ILE . 17.4 mt -91.35 -48.45 13.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.167 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.579 HD11 HD11 ' A' ' 53' ' ' LEU . 62.7 mt -54.45 -55.9 12.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.116 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -48.69 -30.71 5.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.92 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.509 HG23 ' O ' ' A' ' 55' ' ' GLN . 89.5 t -76.61 -66.31 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.087 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 5.9 p -53.67 -26.86 14.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.134 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -97.22 -16.21 20.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.101 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 11.8 m-80 60.92 31.19 19.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.901 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -129.79 163.23 26.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.872 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 4.6 ttmt -113.13 136.54 52.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.904 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.443 ' CG2' HG12 ' A' ' 68' ' ' ILE . 19.4 mt -103.07 103.45 15.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.142 179.858 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -75.7 -12.38 60.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.862 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 29.6 m-20 -91.73 35.1 0.96 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.875 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.443 HG12 ' CG2' ' A' ' 65' ' ' ILE . 40.8 mm -114.4 126.39 71.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.133 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 56.9 t30 -57.85 -70.88 0.12 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.927 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 112.2 -46.39 1.18 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.518 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 8.8 m -133.96 81.64 51.26 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.629 0.728 . . . . 0.0 110.862 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 140.63 43.13 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.679 2.253 . . . . 0.0 112.368 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 71.4 mttt -129.81 -32.76 1.86 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.905 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -93.51 168.83 10.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.902 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -71.34 -28.88 64.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.904 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.426 ' O ' ' C ' ' A' ' 77' ' ' GLN . 82.9 p -90.11 -40.76 12.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.857 -179.802 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.426 ' C ' ' O ' ' A' ' 76' ' ' SER . 7.2 mm-40 -36.11 -40.96 0.23 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.903 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . 0.408 ' O ' ' C ' ' A' ' 79' ' ' ILE . 20.2 mtt -62.81 -50.07 72.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.419 ' N ' ' O ' ' A' ' 76' ' ' SER . 36.0 mm -37.38 -54.72 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.104 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 39.6 mm-40 -52.12 -45.34 64.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.905 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -51.08 -63.32 1.17 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.883 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 17.5 mt -59.92 -38.53 76.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.145 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -57.4 -48.48 78.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.847 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -52.53 -41.94 63.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.129 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 58.7 m -65.18 -40.49 94.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 34.7 mt -67.11 -45.72 76.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.914 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 69.2 m-80 -67.37 -35.12 78.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.898 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.461 ' CD1' ' C ' ' A' ' 88' ' ' PHE . 1.4 t80 -67.6 -42.84 81.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.879 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 30.0 mt -66.56 -40.36 88.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.9 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -53.23 -41.42 65.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.124 179.781 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -62.67 -9.8 10.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.089 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 51.3 mmtt -97.45 -13.05 22.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 110.3 21.81 6.77 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.494 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.667 HD11 ' HB2' ' A' ' 122' ' ' TYR . 64.0 mt . . . . . 0 C--N 1.328 -0.337 0 CA-C-O 120.867 0.365 . . . . 0.0 111.14 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.373 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 63.3 mt -66.04 165.17 13.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.808 0.337 . . . . 0.0 110.932 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 17.0 m -141.62 106.56 4.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.852 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -44.94 -44.25 9.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.137 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -58.85 -53.36 59.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.874 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -53.68 -50.55 65.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.85 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.426 HG22 ' O ' ' A' ' 47' ' ' VAL . 42.4 mt -52.08 -44.49 39.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.114 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 52.1 ttt-85 -56.96 -36.22 70.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.895 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 46.1 m-80 -73.38 -19.57 60.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.889 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 94.8 9.83 58.23 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.51 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . 0.636 ' O ' HD12 ' A' ' 112' ' ' ILE . 27.6 t-20 -52.69 107.28 0.21 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.905 0.384 . . . . 0.0 110.883 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.572 HD13 ' CD ' ' A' ' 44' ' ' GLN . 16.9 tp -45.5 -58.9 3.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.959 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 9.0 mmtp -42.76 -24.19 0.06 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 179.776 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . 0.454 ' HB3' ' O ' ' A' ' 108' ' ' ASN . . . -87.44 -61.4 1.73 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.141 179.833 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.676 ' H ' HD12 ' A' ' 112' ' ' ILE . 4.8 mp -48.45 -51.1 11.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.131 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 17.6 mt -52.48 -50.31 62.98 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -54.95 -31.96 55.79 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.501 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 1.029 HD23 ' N ' ' A' ' 116' ' ' PHE . 0.1 OUTLIER -71.8 -60.27 2.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.849 0.357 . . . . 0.0 110.933 -179.927 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 1.029 ' N ' HD23 ' A' ' 115' ' ' LEU . 10.8 m-85 -64.7 -19.77 65.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.922 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -72.11 -34.62 68.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.878 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 23.2 m -93.04 -46.66 7.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.859 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 11.3 tp -46.4 -58.01 4.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.938 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . 0.566 ' HA ' ' CZ2' ' A' ' 26' ' ' TRP . 28.2 t -45.59 -43.87 12.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.877 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 78.5 mtp180 -54.45 -50.73 67.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.822 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' TYR . . . . . 0.667 ' HB2' HD11 ' A' ' 94' ' ' ILE . 0.5 OUTLIER -46.35 -25.58 0.67 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.912 -179.803 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 15.0 tptp -97.47 -38.92 9.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.942 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.968 179.947 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.404 ' O ' ' C ' ' A' ' 16' ' ' LEU . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.404 ' C ' ' O ' ' A' ' 15' ' ' GLY . 69.3 mt -38.1 -61.22 0.68 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.753 0.311 . . . . 0.0 110.921 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -51.42 -37.48 48.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.916 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.403 ' N ' ' O ' ' A' ' 15' ' ' GLY . 1.6 m-20 -70.74 -34.94 72.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.852 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.444 ' HA ' HD12 ' A' ' 22' ' ' ILE . 31.4 mt-30 -61.43 -43.13 99.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.954 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 22.1 tttt -44.63 -23.16 0.11 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.924 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 4.3 tpt180 -86.4 -45.71 10.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.867 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.444 HD12 ' HA ' ' A' ' 19' ' ' GLN . 50.7 mt -56.23 -46.7 81.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.114 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.447 ' CD1' ' HB3' ' A' ' 116' ' ' PHE . 24.1 m-85 -65.57 -31.59 72.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.972 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.481 ' O ' ' ND2' ' A' ' 28' ' ' ASN . 54.9 m -62.53 -47.47 83.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.128 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 43.2 t0 -65.15 -36.51 84.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 64.6 t90 -56.57 -59.0 5.65 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.925 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.669 ' HB1' HD13 ' A' ' 56' ' ' ILE . . . -61.29 -47.71 84.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.135 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.481 ' ND2' ' O ' ' A' ' 24' ' ' THR . 1.1 m-80 -38.1 -35.71 0.17 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -62.42 -57.45 11.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.842 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.529 ' CE1' ' HA ' ' A' ' 60' ' ' VAL . 87.2 m-85 -54.21 -32.93 57.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.943 -179.828 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.517 HD11 HD21 ' A' ' 52' ' ' LEU . 12.6 mt -71.67 -53.99 11.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.945 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -57.25 -54.62 44.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.115 179.793 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.33 -34.89 35.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.912 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.4 t -75.36 -21.78 58.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.862 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.43 ' O ' ' C ' ' A' ' 36' ' ' HIS . . . 118.78 -30.06 6.06 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.449 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.463 ' CG ' HD22 ' A' ' 31' ' ' LEU . 5.5 m-70 -35.23 128.94 0.52 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.816 0.341 . . . . 0.0 110.887 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 4.2 mmmm -86.76 -28.76 22.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.883 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.437 ' HG2' ' N ' ' A' ' 39' ' ' LEU . 27.3 ttm180 -85.59 155.62 21.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.867 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.437 ' N ' ' HG2' ' A' ' 38' ' ' ARG . 34.7 mt -125.55 -175.39 3.31 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.937 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.711 HG23 ' CG ' ' A' ' 46' ' ' ASP . 73.2 mt -97.13 113.09 30.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.121 179.824 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 11.7 mmm-85 -88.49 -61.11 1.78 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.904 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.486 ' O ' ' N ' ' A' ' 46' ' ' ASP . 1.8 m-20 -113.78 100.07 8.17 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.69 HD11 ' CE2' ' A' ' 116' ' ' PHE . 11.8 tp -49.91 -38.26 35.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.907 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.42 ' HG2' HD13 ' A' ' 112' ' ' ILE . 57.4 mt-30 -72.81 -22.43 60.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.921 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -113.5 9.49 18.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.912 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.711 ' CG ' HG23 ' A' ' 40' ' ' ILE . 1.4 m-20 -102.51 -33.74 9.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.847 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.486 HG22 ' O ' ' A' ' 43' ' ' LEU . 27.2 m -101.15 29.06 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.112 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 33.9 p -87.35 -35.6 18.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.175 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -90.15 -18.29 26.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.856 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 79.33 -14.4 16.41 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.494 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 63.5 t -68.11 -70.12 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.823 0.344 . . . . 0.0 111.162 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.582 ' O ' HD23 ' A' ' 52' ' ' LEU . 1.6 tt -51.04 -30.69 16.26 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.948 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.61 HD11 HD11 ' A' ' 57' ' ' ILE . 2.8 tp -61.26 -50.36 73.34 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.423 ' O ' ' N ' ' A' ' 56' ' ' ILE . . . -61.78 -46.52 89.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.074 179.827 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.443 ' NE2' ' CE1' ' A' ' 36' ' ' HIS . 14.0 mt-30 -38.06 -31.09 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.942 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.706 HD11 HD11 ' A' ' 40' ' ' ILE . 12.9 mt -88.97 -56.04 5.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.124 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.61 HD11 HD11 ' A' ' 53' ' ' LEU . 60.5 mt -43.53 -63.43 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.133 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.503 ' O ' ' N ' ' A' ' 62' ' ' ASN . 32.1 mt-30 -39.43 -41.89 1.02 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 59.4 t -69.68 -67.4 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.09 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.529 ' HA ' ' CE1' ' A' ' 30' ' ' TYR . 3.5 p -49.68 -22.63 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.146 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -101.83 -22.56 14.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.063 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.503 ' N ' ' O ' ' A' ' 58' ' ' GLN . 4.4 m120 69.03 39.71 1.73 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.894 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -149.66 160.24 43.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.898 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 15.8 tttt -109.1 138.04 46.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.907 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.544 HG22 ' H ' ' A' ' 67' ' ' ASP . 13.9 mt -93.97 115.01 31.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.139 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -84.53 0.42 49.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.918 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.544 ' H ' HG22 ' A' ' 65' ' ' ILE . 0.4 OUTLIER -107.87 37.8 2.35 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.921 179.946 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 36.7 mm -114.12 122.96 69.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.167 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -54.23 -59.27 4.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 104.18 -54.68 0.64 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.465 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 52.0 t -124.12 77.2 59.78 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.614 0.721 . . . . 0.0 110.905 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.411 ' HB2' ' CG ' ' A' ' 78' ' ' MET . 54.0 Cg_endo -69.72 98.62 0.69 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.647 2.231 . . . . 0.0 112.398 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 58.1 mmtt -91.49 -52.08 4.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.895 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.442 ' HB2' ' CG ' ' A' ' 77' ' ' GLN . 2.5 m120 -63.79 168.06 5.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.918 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 7.8 tmm_? -75.05 -36.0 61.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.923 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 59.0 p -84.65 -31.48 24.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.881 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.442 ' CG ' ' HB2' ' A' ' 74' ' ' ASN . 13.2 mm-40 -47.96 -40.16 21.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.952 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . 0.411 ' CG ' ' HB2' ' A' ' 72' ' ' PRO . 20.6 mtt -59.08 -43.07 91.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.892 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 32.0 mm -47.9 -53.16 5.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.163 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 64.0 mt-10 -47.62 -51.98 19.51 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -41.8 -72.61 0.06 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.855 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 20.8 mt -49.57 -40.53 15.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.104 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.418 ' HA ' HD12 ' A' ' 86' ' ' LEU . 8.7 t0 -56.72 -45.24 82.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 179.839 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.429 ' HB1' ' OD2' ' A' ' 67' ' ' ASP . . . -51.96 -50.93 60.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.068 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 41.4 m -56.95 -42.95 81.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.871 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.418 HD12 ' HA ' ' A' ' 83' ' ' ASP . 63.9 mt -59.68 -43.68 93.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 -179.844 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 67.5 m-80 -70.81 -39.64 72.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.885 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 10.8 t80 -66.2 -42.81 88.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.868 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.646 HD22 HD12 ' A' ' 94' ' ' ILE . 27.2 mt -68.13 -40.74 82.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.947 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -54.45 -41.52 69.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.081 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -61.27 -21.6 64.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.107 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 35.0 mmtt -87.77 -13.31 42.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.859 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 108.49 29.35 4.22 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.46 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.799 HD11 ' HB2' ' A' ' 122' ' ' TYR . 71.3 mt . . . . . 0 C--N 1.328 -0.342 0 CA-C-O 120.829 0.347 . . . . 0.0 111.108 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 N-CA-C 112.499 -0.241 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 52.4 mt -64.46 146.59 54.29 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.829 0.347 . . . . 0.0 110.96 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 4.0 m -128.94 110.74 12.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.863 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -44.11 -50.78 8.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.088 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -52.42 -58.2 7.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.846 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 22.3 mm-40 -52.93 -46.95 68.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.705 HG12 ' HB1' ' A' ' 111' ' ' ALA . 32.3 mt -58.89 -41.64 83.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.143 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 14.7 ttt-85 -66.87 -24.69 66.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 34.1 m-20 -83.42 -21.91 32.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.869 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 104.84 8.2 37.32 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.473 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . 0.703 ' O ' HD12 ' A' ' 112' ' ' ILE . 7.4 t30 -54.23 99.35 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.88 0.372 . . . . 0.0 110.893 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 12.3 tp -38.47 -58.64 1.0 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.918 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 2.3 mptt -39.35 -44.17 1.28 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.849 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . 0.705 ' HB1' HG12 ' A' ' 104' ' ' ILE . . . -66.84 -58.55 4.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.088 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.727 ' H ' HD12 ' A' ' 112' ' ' ILE . 5.3 mp -52.47 -63.33 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.144 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 19.0 mt -47.08 -48.06 22.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -57.39 -34.62 68.78 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.484 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 1.031 HD23 ' N ' ' A' ' 116' ' ' PHE . 0.2 OUTLIER -69.24 -62.53 1.34 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.848 0.356 . . . . 0.0 110.909 -179.956 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 1.031 ' N ' HD23 ' A' ' 115' ' ' LEU . 10.6 m-85 -59.52 -11.17 4.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.86 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . 0.492 ' CD1' ' C ' ' A' ' 117' ' ' PHE . 3.3 t80 -85.38 -34.32 21.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.878 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 1.5 p -92.94 -29.43 15.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.885 -179.8 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 11.9 tp -65.46 -54.11 33.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.907 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 29.9 p -50.1 -27.62 5.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 44.8 mtp180 -64.29 -50.4 68.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.865 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' TYR . . . . . 0.799 ' HB2' HD11 ' A' ' 94' ' ' ILE . 9.8 t80 -40.22 -55.63 2.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.931 -179.851 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . 0.433 ' O ' ' C ' ' A' ' 124' ' ' GLN . 14.5 tptp -70.4 -54.06 13.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.869 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' GLN . . . . . 0.433 ' C ' ' O ' ' A' ' 123' ' ' LYS . 33.0 mt-30 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.874 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.496 ' O ' ' N ' ' A' ' 18' ' ' ASP . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.607 ' O ' HD11 ' A' ' 113' ' ' LEU . 88.8 mt -39.1 -33.35 0.12 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.764 0.316 . . . . 0.0 110.947 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -81.62 -37.56 27.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.925 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.496 ' N ' ' O ' ' A' ' 15' ' ' GLY . 6.7 m-20 -67.78 -44.91 76.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.866 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.438 ' HB2' HD22 ' A' ' 113' ' ' LEU . 15.5 mt-30 -56.85 -38.27 72.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 28.2 tttt -52.02 -27.48 13.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.846 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 8.0 tpp85 -89.04 -46.51 8.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.908 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 92.7 mt -49.33 -50.24 16.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.183 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.537 ' CG ' ' HB3' ' A' ' 116' ' ' PHE . 23.8 m-85 -63.57 -39.12 93.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.886 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.549 HG23 ' HB ' ' A' ' 40' ' ' ILE . 90.1 m -54.28 -44.82 72.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.112 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -69.15 -40.35 78.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 59.1 t90 -53.42 -51.04 63.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.93 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.523 ' HB1' HD13 ' A' ' 56' ' ' ILE . . . -68.19 -41.74 80.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.108 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.602 ' OD1' HD22 ' A' ' 39' ' ' LEU . 1.4 m-80 -45.73 -31.93 2.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 24.1 t60 -69.89 -40.12 75.84 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.857 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 60.8 m-85 -73.79 -25.84 60.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.917 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 19.8 mt -84.56 -42.41 15.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.956 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -70.26 -34.49 72.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.105 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.6 ptmm? -68.62 -36.77 79.08 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.869 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.6 t -83.23 20.11 1.35 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.834 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 53.54 61.46 7.01 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.463 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.425 ' CE1' HE22 ' A' ' 55' ' ' GLN . 12.4 t-80 -107.79 125.18 51.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.914 0.387 . . . . 0.0 110.832 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.93 47.82 1.15 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 18.7 ttt180 -167.3 148.84 5.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.87 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.602 HD22 ' OD1' ' A' ' 28' ' ' ASN . 29.3 mt -127.72 -177.51 4.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.938 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.689 HD11 HD11 ' A' ' 56' ' ' ILE . 65.5 mt -106.14 114.92 46.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.099 179.826 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 67.3 mtt180 -95.77 -58.72 2.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.494 ' O ' ' N ' ' A' ' 46' ' ' ASP . 0.4 OUTLIER -113.42 101.38 9.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.891 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.698 HD11 ' CE2' ' A' ' 116' ' ' PHE . 12.7 tp -50.93 -38.65 51.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.911 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.52 ' NE2' HD13 ' A' ' 109' ' ' LEU . 30.0 mt-30 -68.8 -38.94 80.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.9 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.408 ' HB2' ' CG ' ' A' ' 42' ' ' ASP . 10.9 mt-30 -99.11 10.9 40.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.946 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.614 ' CG ' HG23 ' A' ' 40' ' ' ILE . 2.8 m-20 -101.33 -28.31 12.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.426 HG12 ' HB2' ' A' ' 53' ' ' LEU . 23.4 m -110.67 34.55 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.146 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.414 HG22 ' O ' ' A' ' 105' ' ' ARG . 22.9 p -89.39 -34.83 16.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.104 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -96.49 -16.76 20.96 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.835 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 79.83 -14.52 18.94 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.48 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 97.1 t -61.03 -70.54 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.877 0.37 . . . . 0.0 111.139 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.539 ' O ' HD23 ' A' ' 52' ' ' LEU . 1.6 tt -54.17 -34.57 60.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.97 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.74 HD11 HD11 ' A' ' 57' ' ' ILE . 2.3 tp -58.68 -48.45 81.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.938 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.38 -39.57 94.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.075 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.455 ' O ' HG23 ' A' ' 59' ' ' VAL . 24.2 mt-30 -46.6 -23.95 0.47 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.924 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.689 HD11 HD11 ' A' ' 40' ' ' ILE . 10.6 mt -95.12 -53.39 8.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.104 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.74 HD11 HD11 ' A' ' 53' ' ' LEU . 67.2 mt -48.58 -51.77 10.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.151 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -56.54 -22.45 33.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.455 HG23 ' O ' ' A' ' 55' ' ' GLN . 85.6 t -88.08 -59.74 2.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.103 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 6.3 p -59.31 -27.08 35.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.135 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -99.24 -14.17 19.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.142 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 8.5 m120 58.63 48.15 12.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.936 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -147.06 160.56 42.25 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 19.7 ttpt -110.38 130.09 55.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.917 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.45 HG12 ' CD2' ' A' ' 88' ' ' PHE . 31.8 mt -94.64 103.16 14.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.138 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -72.94 -13.27 61.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.452 ' O ' ' CB ' ' A' ' 84' ' ' ALA . 28.9 m-20 -92.11 36.16 0.98 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.844 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.444 HG12 ' CG2' ' A' ' 65' ' ' ILE . 35.4 mm -114.06 132.5 62.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.085 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.438 ' ND2' ' HA ' ' A' ' 72' ' ' PRO . 51.9 t30 -64.14 -52.47 58.92 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.918 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 93.63 -49.43 2.32 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.478 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 36.2 m -134.08 82.91 47.03 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.602 0.715 . . . . 0.0 110.874 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.438 ' HA ' ' ND2' ' A' ' 69' ' ' ASN . 54.0 Cg_endo -69.74 138.63 38.34 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.703 2.269 . . . . 0.0 112.38 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 68.9 mttt -115.57 -47.14 2.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.925 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.416 ' O ' ' C ' ' A' ' 75' ' ' ARG . 28.7 t-20 -101.07 139.98 36.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.873 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.416 ' C ' ' O ' ' A' ' 74' ' ' ASN . 5.4 mmt-85 -35.73 -46.65 0.45 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.847 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.448 ' O ' ' N ' ' A' ' 79' ' ' ILE . 9.7 p -60.61 -48.31 82.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.859 -179.779 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.412 ' N ' ' O ' ' A' ' 74' ' ' ASN . 15.2 mm100 -43.51 -22.84 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.932 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . 0.413 ' N ' ' O ' ' A' ' 76' ' ' SER . 8.7 mtt -79.83 -38.14 33.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.857 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.472 ' CD1' ' HD3' ' A' ' 105' ' ' ARG . 3.5 mm -49.67 -50.28 18.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.107 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -54.35 -53.4 54.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.864 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -40.56 -68.71 0.16 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 24.6 mt -53.64 -40.07 40.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.163 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -54.65 -51.99 63.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.828 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.452 ' CB ' ' O ' ' A' ' 67' ' ' ASP . . . -54.19 -44.68 71.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.095 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 71.9 m -59.18 -39.4 82.4 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.878 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 87.9 mt -64.62 -55.47 20.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 70.0 m-80 -59.77 -31.12 69.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.597 ' CD1' ' C ' ' A' ' 88' ' ' PHE . 0.5 OUTLIER -71.84 -40.68 68.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.896 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.4 HD22 ' CD1' ' A' ' 94' ' ' ILE . 57.8 mt -68.41 -40.07 81.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.92 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -54.7 -37.68 66.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.069 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -65.29 -20.05 66.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.071 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.504 ' HB3' ' CE1' ' A' ' 122' ' ' TYR . 41.5 mmtt -90.18 -17.41 27.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.881 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 111.54 37.21 1.63 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.489 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.686 HD11 ' HB2' ' A' ' 122' ' ' TYR . 71.0 mt . . . . . 0 C--N 1.329 -0.286 0 CA-C-O 120.838 0.351 . . . . 0.0 111.109 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.527 -0.229 . . . . 0.0 112.527 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 51.6 mt -68.4 137.44 54.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.791 0.329 . . . . 0.0 110.931 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.447 ' CB ' ' HG3' ' A' ' 103' ' ' GLU . 1.1 m -121.64 123.0 40.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.874 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -51.95 -46.53 64.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.099 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -56.71 -42.37 79.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.901 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.447 ' HG3' ' CB ' ' A' ' 100' ' ' SER . 18.0 mt-10 -71.01 -43.53 67.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.881 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 73.1 mt -63.74 -37.84 80.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.121 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.472 ' HD3' ' CD1' ' A' ' 79' ' ' ILE . 14.5 ttt-85 -67.49 -38.12 83.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.931 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 22.5 m-80 -66.57 -27.98 68.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.904 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 100.1 30.02 6.54 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.487 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . 0.712 ' O ' HD12 ' A' ' 112' ' ' ILE . 27.8 t30 -74.17 102.91 4.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.868 0.366 . . . . 0.0 110.917 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.52 HD13 ' NE2' ' A' ' 44' ' ' GLN . 8.5 tp -35.9 -52.44 0.73 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.931 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 13.3 mmtp -51.21 -41.95 60.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.885 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . 0.479 ' N ' ' O ' ' A' ' 108' ' ' ASN . . . -68.92 -56.02 9.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.116 179.813 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.712 HD12 ' O ' ' A' ' 108' ' ' ASN . 5.3 mp -53.61 -65.9 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.137 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.607 HD11 ' O ' ' A' ' 16' ' ' LEU . 58.4 mt -39.16 -41.47 0.84 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.917 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -59.71 -40.16 96.19 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.463 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 1.034 HD23 ' N ' ' A' ' 116' ' ' PHE . 0.2 OUTLIER -64.57 -60.98 2.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.861 0.363 . . . . 0.0 110.904 -179.883 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 1.034 ' N ' HD23 ' A' ' 115' ' ' LEU . 12.0 m-85 -63.41 -12.49 31.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.867 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . 0.486 ' CD1' ' C ' ' A' ' 117' ' ' PHE . 3.5 t80 -79.68 -36.93 36.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.842 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . 0.444 ' OG ' ' CG2' ' A' ' 94' ' ' ILE . 7.9 p -93.0 -37.67 12.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.824 -179.771 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 9.4 tp -54.94 -47.95 73.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.927 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 89.2 p -56.62 -37.35 70.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.833 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 47.1 mtp85 -59.09 -46.61 87.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.862 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' TYR . . . . . 0.686 ' HB2' HD11 ' A' ' 94' ' ' ILE . 9.6 t80 -42.74 -56.04 3.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 -179.871 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . 0.436 ' O ' ' C ' ' A' ' 124' ' ' GLN . 11.3 tptp -74.17 -53.58 9.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.889 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' GLN . . . . . 0.436 ' C ' ' O ' ' A' ' 123' ' ' LYS . 73.3 mt-30 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.927 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.473 ' N ' ' HB2' ' A' ' 18' ' ' ASP . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.431 ' C ' ' O ' ' A' ' 15' ' ' GLY . 15.3 mt -35.34 -56.66 0.62 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.761 0.315 . . . . 0.0 110.949 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.42 ' HA ' HD21 ' A' ' 109' ' ' LEU . 4.6 mp0 -62.16 -41.24 98.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.849 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.473 ' HB2' ' N ' ' A' ' 15' ' ' GLY . 1.1 m-20 -61.73 -31.33 71.49 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.833 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.857 ' HA ' HD12 ' A' ' 22' ' ' ILE . 26.8 mt-30 -64.29 -42.24 96.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.848 -179.856 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.628 ' HB2' HD11 ' A' ' 109' ' ' LEU . 47.3 tttt -46.35 -42.19 14.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.913 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 18.2 ttm-85 -64.73 -54.35 32.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.892 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.857 HD12 ' HA ' ' A' ' 19' ' ' GLN . 39.1 mt -40.97 -52.4 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.135 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.568 ' HB2' HD22 ' A' ' 43' ' ' LEU . 30.0 m-85 -68.59 -49.0 62.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.92 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 51.9 m -41.45 -49.16 3.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.181 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -73.32 -37.46 66.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.887 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 86.4 t90 -56.97 -42.07 79.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.94 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.851 ' HB1' HG12 ' A' ' 56' ' ' ILE . . . -71.06 -40.54 71.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.119 179.851 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.859 ' OD1' HD22 ' A' ' 39' ' ' LEU . 2.0 m-80 -49.85 -47.1 51.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.914 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -46.2 -38.0 7.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.822 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.469 ' HA ' ' CD ' ' A' ' 33' ' ' LYS . 96.0 m-85 -79.54 -22.7 43.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.895 -179.847 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.894 HD22 ' CD2' ' A' ' 36' ' ' HIS . 14.2 mt -79.4 -57.24 3.8 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.887 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -57.84 -48.7 79.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.087 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.469 ' CD ' ' HA ' ' A' ' 30' ' ' TYR . 16.4 ptmt -50.35 -37.14 35.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 19.5 m -91.76 33.06 1.05 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.852 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 46.58 59.98 5.05 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.475 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.894 ' CD2' HD22 ' A' ' 31' ' ' LEU . 81.5 t60 -121.19 87.19 2.71 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.882 0.373 . . . . 0.0 110.875 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 36' ' ' HIS . 1.2 mmmm -38.25 -74.78 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.927 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 21.5 ttm180 -38.35 150.21 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.889 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.859 HD22 ' OD1' ' A' ' 28' ' ' ASN . 52.7 mt -131.54 -178.93 5.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.927 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.459 HD11 HD11 ' A' ' 56' ' ' ILE . 80.3 mt -99.12 117.16 43.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.155 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 55.9 mtm180 -88.43 -63.03 1.36 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.86 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.47 ' O ' ' N ' ' A' ' 45' ' ' GLN . 72.4 m-20 -114.93 98.28 6.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.855 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 1.054 HD11 ' CE2' ' A' ' 116' ' ' PHE . 16.9 tp -40.99 -25.03 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.441 ' N ' ' O ' ' A' ' 42' ' ' ASP . 26.1 mt-30 -77.14 -40.64 44.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.921 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.678 ' HA ' HG23 ' A' ' 48' ' ' THR . 54.4 mm-40 -83.57 -47.58 11.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.922 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.944 ' OD1' HG13 ' A' ' 47' ' ' VAL . 0.5 OUTLIER -48.66 -19.02 0.31 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.836 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.944 HG13 ' OD1' ' A' ' 46' ' ' ASP . 18.5 m -115.35 39.67 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.097 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.678 HG23 ' HA ' ' A' ' 45' ' ' GLN . 14.3 p -97.5 -30.24 13.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.122 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.463 ' O ' ' CB ' ' A' ' 81' ' ' ASN . 0.9 OUTLIER -104.07 -16.22 15.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.883 179.898 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 82.88 -17.17 23.18 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.536 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 93.3 t -64.74 -59.21 4.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.805 0.336 . . . . 0.0 111.131 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.619 HD13 ' HB2' ' A' ' 46' ' ' ASP . 1.2 tt -62.61 -34.03 76.2 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.957 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.699 HD11 HD11 ' A' ' 57' ' ' ILE . 1.4 tp -58.81 -47.25 85.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.959 179.826 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.487 ' O ' ' N ' ' A' ' 56' ' ' ILE . . . -64.59 -43.05 95.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.131 179.761 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.508 ' O ' HG23 ' A' ' 59' ' ' VAL . 20.0 mt-30 -36.69 -29.57 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.915 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.851 HG12 ' HB1' ' A' ' 27' ' ' ALA . 4.8 mp -92.3 -50.89 12.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.144 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.699 HD11 HD11 ' A' ' 53' ' ' LEU . 72.7 mt -50.47 -55.31 6.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.139 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 -52.33 -31.81 35.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.984 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.508 HG23 ' O ' ' A' ' 55' ' ' GLN . 76.7 t -76.42 -68.45 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.126 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.427 ' CG2' ' HD3' ' A' ' 123' ' ' LYS . 11.9 p -51.68 -31.63 13.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.082 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -89.77 -15.14 33.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.134 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 72.9 m-20 59.46 33.6 22.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.837 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -137.58 162.67 33.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.89 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 18.5 ttpp -111.27 137.06 49.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.89 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.462 ' HB ' ' CG1' ' A' ' 68' ' ' ILE . 18.2 mt -97.25 117.39 41.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.15 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -81.83 -18.19 44.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.509 ' O ' ' HB2' ' A' ' 84' ' ' ALA . 11.8 m-20 -86.82 36.74 0.73 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.855 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.462 ' CG1' ' HB ' ' A' ' 65' ' ' ILE . 36.3 mm -113.35 103.35 15.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.119 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 64.3 t30 -40.47 -47.34 2.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.855 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 99.54 -57.82 0.84 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.524 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 6.9 t -130.64 82.4 64.92 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.595 0.712 . . . . 0.0 110.907 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 119.25 6.23 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.674 2.249 . . . . 0.0 112.356 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 37.9 mttp -105.35 -50.76 3.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.883 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.464 ' HB2' ' CG ' ' A' ' 77' ' ' GLN . 10.4 m-20 -71.74 165.6 23.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.871 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -65.63 -48.22 72.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.907 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 3.9 m -71.61 -34.13 69.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.896 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.464 ' CG ' ' HB2' ' A' ' 74' ' ' ASN . 6.6 mm100 -42.91 -49.53 5.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.952 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 13.0 mtt -53.06 -47.73 68.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.861 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 49.4 mm -38.35 -62.06 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.153 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.422 ' O ' ' C ' ' A' ' 81' ' ' ASN . 11.4 mt-10 -38.48 -57.79 1.1 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.463 ' CB ' ' O ' ' A' ' 49' ' ' ASP . 2.4 m120 -36.56 -70.18 0.1 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.864 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 27.8 mt -52.4 -40.7 33.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.144 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -53.58 -48.11 69.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.849 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.509 ' HB2' ' O ' ' A' ' 67' ' ' ASP . . . -52.3 -51.12 60.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.082 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 38.6 m -54.49 -45.75 73.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.927 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 60.1 mt -57.43 -53.66 55.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 70.1 m-80 -63.26 -36.25 83.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.893 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.472 ' CZ ' ' HE3' ' A' ' 92' ' ' LYS . 16.7 t80 -62.38 -45.55 92.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.655 HD21 HD13 ' A' ' 119' ' ' LEU . 75.6 mt -61.63 -51.61 67.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.931 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -46.81 -51.95 15.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.097 179.779 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -54.83 -31.68 59.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.128 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.472 ' HE3' ' CZ ' ' A' ' 88' ' ' PHE . 70.0 mmtt -76.09 -17.48 59.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.904 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 109.7 38.21 1.77 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.486 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.764 HD11 ' HB2' ' A' ' 122' ' ' TYR . 70.3 mt . . . . . 0 C--N 1.329 -0.319 0 CA-C-O 120.784 0.326 . . . . 0.0 111.144 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.514 -0.235 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 71.5 mt -65.42 176.31 1.46 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.816 0.341 . . . . 0.0 110.914 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 18.1 m -152.41 107.87 3.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.856 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -47.6 -43.79 25.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.089 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -57.98 -54.42 47.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.927 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 38.1 mm-40 -51.91 -46.32 64.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.888 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.424 HG22 ' O ' ' A' ' 47' ' ' VAL . 23.6 mt -57.84 -43.77 84.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.135 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 16.0 ttt-85 -63.59 -23.36 67.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.846 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 -85.19 -18.68 33.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 91.78 33.24 7.99 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.535 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . 0.673 ' O ' HD12 ' A' ' 112' ' ' ILE . 25.4 t-20 -77.45 97.91 5.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.83 0.348 . . . . 0.0 110.874 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.628 HD11 ' HB2' ' A' ' 20' ' ' LYS . 9.8 tp -37.09 -63.26 0.44 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.926 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 2.8 mmmp? -40.15 -38.83 0.81 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 179.804 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . 0.404 ' N ' ' O ' ' A' ' 108' ' ' ASN . . . -71.26 -63.75 1.05 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.115 179.845 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.689 ' H ' HD12 ' A' ' 112' ' ' ILE . 5.2 mp -47.83 -63.21 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.14 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.43 ' C ' ' O ' ' A' ' 112' ' ' ILE . 67.2 mt -35.3 -49.54 0.51 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.938 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -54.29 -52.47 44.04 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.487 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.926 HD23 ' N ' ' A' ' 116' ' ' PHE . 0.1 OUTLIER -52.23 -55.49 20.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.849 0.357 . . . . 0.0 110.917 -179.936 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 1.054 ' CE2' HD11 ' A' ' 43' ' ' LEU . 10.6 m-85 -66.73 -19.21 65.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 12.4 t80 -73.84 -34.22 64.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.868 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 33.5 p -92.77 -40.54 10.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.867 -179.787 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.655 HD13 HD21 ' A' ' 89' ' ' LEU . 15.9 tp -57.44 -48.27 79.59 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.897 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 6.4 t -52.79 -37.0 59.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.841 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 51.6 mtp180 -61.94 -50.39 72.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.841 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' TYR . . . . . 0.764 ' HB2' HD11 ' A' ' 94' ' ' ILE . 0.1 OUTLIER -43.98 -33.59 1.45 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 -179.853 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . 0.427 ' HD3' ' CG2' ' A' ' 60' ' ' VAL . 15.9 tptp -73.93 -48.29 31.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.927 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.926 179.966 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.456 ' O ' ' N ' ' A' ' 18' ' ' ASP . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.43 ' C ' ' O ' ' A' ' 15' ' ' GLY . 71.4 mt -35.71 -50.74 0.64 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.784 0.326 . . . . 0.0 110.893 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -62.84 -42.85 99.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.456 ' N ' ' O ' ' A' ' 15' ' ' GLY . 6.8 m-20 -60.81 -38.64 86.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.87 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 44.3 mt-30 -57.49 -45.52 84.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.917 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.407 ' HB2' HD11 ' A' ' 109' ' ' LEU . 63.7 tttt -42.44 -48.41 5.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.906 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.09 -54.17 45.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.893 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 86.7 mt -41.58 -52.69 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.119 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.561 ' HB2' HD22 ' A' ' 43' ' ' LEU . 27.3 m-85 -68.57 -49.51 58.88 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.869 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 55.4 m -42.98 -45.36 5.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.168 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -73.78 -38.09 64.76 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.829 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 89.1 t90 -56.82 -44.73 82.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.918 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.501 ' HB1' HG12 ' A' ' 56' ' ' ILE . . . -74.56 -45.5 44.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.086 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 34.7 m-20 -46.24 -40.79 12.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.859 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -53.05 -41.34 64.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.854 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.546 ' HB2' HG23 ' A' ' 56' ' ' ILE . 95.7 m-85 -74.24 -21.58 59.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.893 -179.817 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.558 HD11 HD21 ' A' ' 52' ' ' LEU . 18.7 mt -83.84 -36.84 23.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.948 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -77.82 -25.37 48.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.082 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 13.7 ptmt -75.09 -34.56 61.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.912 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.7 t -91.87 27.24 2.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 51.59 66.4 2.57 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.522 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.41 ' CB ' ' O ' ' A' ' 31' ' ' LEU . 6.7 t-80 -120.66 95.32 4.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.905 0.383 . . . . 0.0 110.848 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 31.4 mtpt -43.19 -61.29 1.37 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.451 ' HG2' ' N ' ' A' ' 39' ' ' LEU . 6.0 ttt180 -58.16 144.05 41.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.879 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.451 ' N ' ' HG2' ' A' ' 38' ' ' ARG . 37.3 mt -123.56 -175.74 3.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.907 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 91.7 mt -100.93 120.58 50.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.098 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 4.9 mpt_? -94.46 -64.77 1.04 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.855 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.455 ' O ' ' N ' ' A' ' 45' ' ' GLN . 0.9 OUTLIER -112.53 98.33 7.18 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.848 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.779 HD11 ' CE2' ' A' ' 116' ' ' PHE . 13.0 tp -42.23 -23.48 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.92 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.485 ' CD ' HD13 ' A' ' 109' ' ' LEU . 62.7 mt-30 -77.45 -40.12 44.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.902 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.792 ' HA ' HG23 ' A' ' 48' ' ' THR . 27.5 mt-30 -86.17 -48.24 8.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.936 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.786 ' OD1' HG13 ' A' ' 47' ' ' VAL . 0.5 OUTLIER -42.32 -23.64 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 179.924 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.786 HG13 ' OD1' ' A' ' 46' ' ' ASP . 26.2 m -114.76 42.74 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.146 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.792 HG23 ' HA ' ' A' ' 45' ' ' GLN . 3.1 p -91.46 -35.72 14.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.165 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -106.22 -12.23 15.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.873 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 86.9 -25.4 7.6 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.47 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 66.1 t -50.58 -70.35 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.882 0.372 . . . . 0.0 111.143 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.612 ' O ' HD12 ' A' ' 56' ' ' ILE . 1.8 tt -53.06 -35.88 60.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.96 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.697 ' HB2' HG12 ' A' ' 47' ' ' VAL . 1.7 tp -59.75 -47.01 87.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.932 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -67.62 -34.6 77.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.113 179.784 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -46.7 -27.44 1.18 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.951 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.612 HD12 ' O ' ' A' ' 52' ' ' LEU . 5.3 mp -94.57 -58.66 3.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.185 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.662 HD11 HD11 ' A' ' 53' ' ' LEU . 59.3 mt -37.84 -50.92 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.123 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.414 ' O ' ' N ' ' A' ' 62' ' ' ASN . 37.5 mt-30 -54.64 -43.6 72.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.929 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.402 ' N ' ' O ' ' A' ' 56' ' ' ILE . 65.8 t -68.18 -64.13 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.111 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 8.1 p -52.89 -32.64 18.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.147 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -89.55 -19.42 25.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.109 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.414 ' N ' ' O ' ' A' ' 58' ' ' GLN . 6.9 m120 66.64 37.36 4.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.905 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -143.88 166.94 23.53 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 4.4 ttpp -117.17 131.43 56.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.89 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.423 ' HB ' ' CG1' ' A' ' 68' ' ' ILE . 22.4 mt -91.98 117.47 35.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.132 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -82.31 -15.18 53.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.921 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -89.14 35.43 0.8 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.87 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.423 ' CG1' ' HB ' ' A' ' 65' ' ' ILE . 34.9 mm -113.74 111.09 34.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.149 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 57.4 t30 -48.54 -57.1 6.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.856 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 115.89 -59.92 0.43 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.482 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 92.0 m -134.17 72.14 71.89 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.631 0.729 . . . . 0.0 110.9 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 132.78 24.07 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.71 2.274 . . . . 0.0 112.334 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.45 ' HG2' ' N ' ' A' ' 74' ' ' ASN . 0.0 OUTLIER -123.67 -34.13 3.09 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.932 179.889 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.45 ' N ' ' HG2' ' A' ' 73' ' ' LYS . 2.5 t30 -68.9 170.78 9.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.931 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 4.2 tpt180 -61.81 -50.75 71.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.458 ' O ' ' N ' ' A' ' 79' ' ' ILE . 5.1 p -81.74 -31.08 32.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.872 -179.807 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 22.7 mm-40 -40.88 -38.43 0.95 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.954 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . 0.437 ' SD ' ' NH1' ' A' ' 105' ' ' ARG . 20.1 mtt -77.61 -34.84 53.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.884 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.458 ' N ' ' O ' ' A' ' 76' ' ' SER . 21.6 mm -56.55 -54.39 29.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.145 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -42.79 -56.95 2.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.895 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 7.0 m-20 -39.51 -71.26 0.08 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 28.9 mt -47.92 -37.63 6.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.121 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -59.05 -49.53 77.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -51.79 -45.72 63.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.101 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 63.6 m -59.36 -43.17 92.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 81.8 mt -63.29 -45.02 93.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.918 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 70.4 m-80 -69.81 -35.79 75.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.853 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 6.1 t80 -67.67 -40.49 84.45 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.857 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 89.8 mt -69.26 -42.85 75.03 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.909 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -52.62 -46.51 67.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.119 179.766 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -56.17 -18.84 11.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.131 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 36.2 mmtt -88.63 -17.48 30.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 112.64 29.08 3.24 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.477 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.783 HD11 ' HB2' ' A' ' 122' ' ' TYR . 71.6 mt . . . . . 0 C--N 1.329 -0.317 0 CA-C-O 120.856 0.36 . . . . 0.0 111.101 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 N-CA-C 112.481 -0.247 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 43.9 mt -58.34 170.09 0.77 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.799 0.333 . . . . 0.0 110.934 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 12.8 m -149.28 112.32 4.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.844 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -47.74 -52.13 19.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.055 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -50.0 -57.43 7.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.863 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -49.96 -55.91 12.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.857 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.465 HG22 ' O ' ' A' ' 47' ' ' VAL . 27.8 mt -48.18 -44.86 12.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.137 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.437 ' NH1' ' SD ' ' A' ' 78' ' ' MET . 3.6 ttt85 -59.48 -33.32 71.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.87 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 37.6 m-20 -75.25 -16.85 60.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.952 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 87.24 26.96 29.33 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.517 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . 0.757 ' O ' HD12 ' A' ' 112' ' ' ILE . 42.2 t30 -71.39 100.39 2.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.893 0.377 . . . . 0.0 110.877 -179.86 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.485 HD13 ' CD ' ' A' ' 44' ' ' GLN . 8.6 tp -37.38 -61.54 0.58 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.931 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . 0.418 ' C ' ' O ' ' A' ' 109' ' ' LEU . 11.3 mmtp -36.81 -40.25 0.26 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.915 179.807 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -73.64 -68.33 0.52 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.1 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.774 ' H ' HD12 ' A' ' 112' ' ' ILE . 5.2 mp -41.8 -54.26 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.151 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 92.8 mt -45.73 -51.38 12.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.935 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -54.51 -47.11 71.27 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.519 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 1.03 HD23 ' N ' ' A' ' 116' ' ' PHE . 0.1 OUTLIER -55.78 -60.6 3.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.839 0.352 . . . . 0.0 110.935 -179.948 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 1.03 ' N ' HD23 ' A' ' 115' ' ' LEU . 11.4 m-85 -63.12 -25.12 68.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . 0.48 ' CD1' ' C ' ' A' ' 117' ' ' PHE . 3.1 t80 -71.1 -29.4 65.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.904 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 6.8 p -95.0 -40.46 9.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.829 -179.775 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 15.9 tp -59.51 -49.46 77.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.942 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 58.9 p -51.72 -30.5 22.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 25.5 mtt-85 -71.55 -41.9 68.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.847 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' TYR . . . . . 0.783 ' HB2' HD11 ' A' ' 94' ' ' ILE . 2.2 t80 -47.48 -48.39 27.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.938 -179.843 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 12.3 tptp -76.36 -59.09 2.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.943 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.906 179.963 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 16' ' ' LEU . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.407 ' C ' ' O ' ' A' ' 15' ' ' GLY . 65.9 mt -37.54 -55.94 1.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.745 0.307 . . . . 0.0 110.895 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -55.79 -44.01 77.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -65.68 -29.5 70.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.831 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.438 ' HA ' HD12 ' A' ' 22' ' ' ILE . 26.6 mt-30 -67.7 -47.02 70.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.92 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 24.1 tttt -40.6 -48.16 2.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.944 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 5.2 tpt180 -62.92 -56.16 19.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.438 HD12 ' HA ' ' A' ' 19' ' ' GLN . 96.8 mt -38.72 -49.79 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.086 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 -70.76 -37.95 73.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.898 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.5 ' O ' ' ND2' ' A' ' 28' ' ' ASN . 49.3 m -54.03 -50.29 67.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.108 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -68.19 -40.49 82.22 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.883 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 78.6 t90 -52.48 -48.68 65.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.93 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.807 ' HB1' HG12 ' A' ' 56' ' ' ILE . . . -68.3 -44.13 76.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.126 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.927 ' OD1' HD22 ' A' ' 39' ' ' LEU . 1.7 m-80 -43.89 -41.72 5.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.907 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -53.55 -47.58 69.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 85.8 m-85 -67.77 -14.59 63.08 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.902 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.553 HD11 HD21 ' A' ' 52' ' ' LEU . 17.5 mt -89.66 -57.45 2.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.878 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.47 -21.86 60.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.095 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 10.9 ptmt -79.03 -39.56 33.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.932 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.2 m -81.18 1.78 30.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 80.7 65.37 1.72 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.508 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 4.5 m-70 -117.13 148.94 41.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.838 0.351 . . . . 0.0 110.887 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.8 pttp -105.71 -17.85 14.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.949 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 14.0 ttm105 -101.54 129.1 47.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.855 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.927 HD22 ' OD1' ' A' ' 28' ' ' ASN . 80.6 mt -109.51 171.28 7.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.935 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.534 HG23 ' CB ' ' A' ' 46' ' ' ASP . 95.8 mt -91.5 110.74 22.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.141 179.837 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 14.5 mtp180 -87.86 -57.45 2.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.861 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -114.74 100.09 7.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.844 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.851 HD11 ' CE2' ' A' ' 116' ' ' PHE . 12.0 tp -50.0 -21.31 1.18 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.897 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.565 ' CD ' HD13 ' A' ' 109' ' ' LEU . 35.2 mt-30 -84.5 -28.95 26.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 71.2 mt-30 -109.83 8.79 24.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.937 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.621 ' OD1' HG13 ' A' ' 47' ' ' VAL . 0.3 OUTLIER -95.21 -35.0 12.01 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.873 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.658 HG12 ' HB2' ' A' ' 53' ' ' LEU . 34.5 m -101.76 29.31 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.115 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 7.6 p -83.62 -32.91 25.45 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.118 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -97.31 -16.36 20.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.851 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 78.04 -10.46 26.78 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.527 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 42.6 t -68.95 -70.6 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.927 0.394 . . . . 0.0 111.169 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.589 ' O ' HD23 ' A' ' 52' ' ' LEU . 1.7 tt -51.71 -31.15 25.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.958 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.658 ' HB2' HG12 ' A' ' 47' ' ' VAL . 2.1 tp -62.34 -50.37 71.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.876 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.03 -46.02 92.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.145 179.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.814 ' O ' HG23 ' A' ' 59' ' ' VAL . 15.5 mt-30 -39.4 -39.64 0.7 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.885 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.807 HG12 ' HB1' ' A' ' 27' ' ' ALA . 3.6 mp -78.43 -51.04 18.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.139 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.642 HD11 HD11 ' A' ' 53' ' ' LEU . 41.9 mt -50.61 -53.11 14.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.1 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -55.08 -17.1 3.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.814 HG23 ' O ' ' A' ' 55' ' ' GLN . 30.2 t -93.26 -59.18 3.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.123 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.406 HG12 ' HA ' ' A' ' 57' ' ' ILE . 7.2 p -59.92 -24.75 30.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.155 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -100.18 -16.85 17.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.039 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 71.2 m-80 62.38 48.45 4.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.841 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -151.1 160.32 43.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 22.1 tttt -110.69 138.06 47.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.867 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.44 ' HB ' ' CG1' ' A' ' 68' ' ' ILE . 20.7 mt -100.65 115.12 41.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.138 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -78.51 -23.57 46.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.935 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.459 ' HB3' ' HB1' ' A' ' 84' ' ' ALA . 2.3 t70 -82.47 41.12 0.69 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.836 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.44 ' CG1' ' HB ' ' A' ' 65' ' ' ILE . 33.8 mm -118.03 110.32 30.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.129 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -49.66 -68.29 0.19 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.905 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 132.11 -71.12 0.51 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.484 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 74.8 m -128.19 81.46 70.43 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.548 0.69 . . . . 0.0 110.876 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 141.96 46.59 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.708 2.272 . . . . 0.0 112.318 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.465 ' HD2' ' N ' ' A' ' 73' ' ' LYS . 0.0 OUTLIER -124.43 -37.24 2.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.927 179.873 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.471 ' HB2' ' CG ' ' A' ' 77' ' ' GLN . 9.0 m-20 -77.73 -179.85 6.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 1.5 tmt_? -70.71 -55.6 8.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.493 ' O ' ' N ' ' A' ' 79' ' ' ILE . 10.5 t -71.0 -34.73 71.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.846 -179.767 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.471 ' CG ' ' HB2' ' A' ' 74' ' ' ASN . 6.1 mm-40 -40.31 -37.16 0.62 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.894 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 17.6 mtt -80.32 -32.96 37.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.907 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.493 ' N ' ' O ' ' A' ' 76' ' ' SER . 26.4 mm -52.19 -46.62 44.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.165 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.434 ' O ' ' C ' ' A' ' 81' ' ' ASN . 12.2 mt-10 -51.25 -63.7 1.05 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.882 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.434 ' C ' ' O ' ' A' ' 80' ' ' GLU . 57.2 m-80 -35.62 -72.53 0.05 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.838 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 61.2 mt -48.86 -36.6 8.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.181 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -60.85 -49.31 77.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.916 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.459 ' HB1' ' HB3' ' A' ' 67' ' ' ASP . . . -54.0 -42.91 69.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.085 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 62.4 m -61.98 -38.2 87.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 83.3 mt -66.72 -50.12 63.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.902 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 68.6 m-80 -66.37 -33.43 75.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.906 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.452 ' CD1' ' C ' ' A' ' 88' ' ' PHE . 1.4 t80 -70.84 -40.11 72.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.873 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.586 HD22 HD12 ' A' ' 94' ' ' ILE . 27.3 mt -72.03 -42.02 66.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.935 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -52.85 -38.08 61.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.058 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -66.26 -21.34 66.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.096 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 39.6 mmtt -86.54 -18.54 31.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.882 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 114.51 32.73 1.88 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.471 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.761 HD11 ' CB ' ' A' ' 122' ' ' TYR . 78.4 mt . . . . . 0 C--N 1.329 -0.301 0 CA-C-O 120.854 0.359 . . . . 0.0 111.094 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.464 -0.255 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 66.1 mt -60.04 164.08 4.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.798 0.332 . . . . 0.0 110.933 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 9.8 m -148.25 108.89 4.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.834 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -44.48 -49.6 9.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.129 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -52.74 -51.42 60.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.913 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -57.23 -46.47 82.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.85 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.458 ' CG2' HG23 ' A' ' 47' ' ' VAL . 35.8 mt -58.41 -42.7 84.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.167 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 18.5 ttt-85 -64.56 -30.5 71.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.852 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 16.5 m-20 -75.16 -26.21 58.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.891 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 100.23 18.33 22.09 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.482 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . 0.721 ' O ' HD12 ' A' ' 112' ' ' ILE . 0.3 OUTLIER -67.39 104.56 1.56 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.867 0.365 . . . . 0.0 110.846 -179.844 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.565 HD13 ' CD ' ' A' ' 44' ' ' GLN . 11.6 tp -40.41 -57.63 1.74 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . 0.43 ' HB2' ' ND2' ' A' ' 108' ' ' ASN . 57.6 mmtt -39.9 -41.03 1.1 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.931 179.801 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -73.96 -63.62 1.18 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.103 179.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.726 ' H ' HD12 ' A' ' 112' ' ' ILE . 5.3 mp -47.04 -59.86 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.157 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.456 HD23 ' HA ' ' A' ' 113' ' ' LEU . 13.3 mt -48.16 -46.6 34.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.91 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -56.53 -39.41 84.67 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.462 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 1.015 HD23 ' N ' ' A' ' 116' ' ' PHE . 0.1 OUTLIER -60.28 -60.15 4.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.851 0.358 . . . . 0.0 110.881 -179.877 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 1.015 ' N ' HD23 ' A' ' 115' ' ' LEU . 10.7 m-85 -63.63 -18.34 63.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.878 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . 0.5 ' CD1' ' C ' ' A' ' 117' ' ' PHE . 3.1 t80 -71.13 -40.3 71.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 1.6 t -88.38 -44.59 10.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.906 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 14.1 tp -51.84 -44.55 63.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.915 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 86.7 p -59.97 -21.64 61.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 57.3 mtp85 -77.47 -45.55 25.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.836 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' TYR . . . . . 0.761 ' CB ' HD11 ' A' ' 94' ' ' ILE . 0.5 OUTLIER -47.05 -25.51 0.85 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.931 -179.856 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 13.4 tptp -94.83 -58.57 2.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.866 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.922 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.414 ' N ' ' HB2' ' A' ' 18' ' ' ASP . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.522 ' O ' HD11 ' A' ' 113' ' ' LEU . 87.5 mt -51.8 -48.88 63.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.758 0.313 . . . . 0.0 110.922 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -65.4 -30.8 71.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.845 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.414 ' HB2' ' N ' ' A' ' 15' ' ' GLY . 0.9 OUTLIER -71.48 -42.11 68.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.874 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -54.78 -39.57 68.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.926 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.447 ' N ' HD21 ' A' ' 113' ' ' LEU . 58.9 tttt -48.31 -35.33 12.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.875 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 19.5 ttp180 -78.19 -43.52 28.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.869 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 97.7 mt -52.3 -50.16 38.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.127 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 26.0 m-85 -68.18 -46.56 70.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.931 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 28.3 m -41.95 -50.65 4.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.118 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -67.13 -41.05 86.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.886 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 82.8 t90 -54.85 -46.12 74.61 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.905 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.68 ' HB1' HG12 ' A' ' 56' ' ' ILE . . . -72.66 -45.43 58.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.125 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 35.1 m-20 -47.65 -40.15 19.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.903 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -56.49 -39.89 74.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.855 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -73.27 -22.95 60.27 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.919 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.691 HD11 HD21 ' A' ' 52' ' ' LEU . 14.4 mt -80.32 -53.59 6.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.937 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -57.43 -41.65 80.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.114 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 10.7 ptmt -58.99 -41.55 87.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.892 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 12.3 m -87.92 36.2 0.76 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.861 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 45.42 67.25 1.28 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.43 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.686 ' CD2' HD22 ' A' ' 31' ' ' LEU . 86.3 t60 -125.62 81.9 2.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.822 0.344 . . . . 0.0 110.899 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.44 ' C ' ' O ' ' A' ' 36' ' ' HIS . 29.4 mttm -34.29 -74.92 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.456 ' HG2' ' N ' ' A' ' 39' ' ' LEU . 31.5 ttm180 -42.6 152.33 0.1 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.862 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.456 ' N ' ' HG2' ' A' ' 38' ' ' ARG . 54.2 mt -130.83 -175.76 3.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.906 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.513 HG23 ' HB3' ' A' ' 46' ' ' ASP . 92.9 mt -102.26 119.72 50.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.114 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.441 ' N ' ' HD3' ' A' ' 41' ' ' ARG . 1.7 mpp_? -93.06 -60.75 1.72 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.852 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.438 ' O ' ' N ' ' A' ' 45' ' ' GLN . 2.7 m-20 -115.07 98.27 6.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.818 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.565 HD11 ' CE2' ' A' ' 116' ' ' PHE . 13.0 tp -42.37 -24.06 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.933 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.42 ' N ' ' O ' ' A' ' 42' ' ' ASP . 44.8 mt-30 -76.38 -40.71 50.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.929 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.799 ' HA ' HG23 ' A' ' 48' ' ' THR . 42.7 mt-30 -85.45 -48.25 9.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.889 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.865 ' OD1' HG13 ' A' ' 47' ' ' VAL . 0.5 OUTLIER -43.85 -22.55 0.06 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.838 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.865 HG13 ' OD1' ' A' ' 46' ' ' ASP . 25.4 m -114.94 40.26 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.118 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.799 HG23 ' HA ' ' A' ' 45' ' ' GLN . 2.8 p -89.69 -34.71 16.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.148 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.452 ' O ' ' CB ' ' A' ' 81' ' ' ASN . 1.9 m-20 -105.93 -15.53 14.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.825 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 89.33 -20.88 31.47 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.504 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 99.5 t -54.78 -69.75 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.839 0.352 . . . . 0.0 111.156 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.691 HD21 HD11 ' A' ' 31' ' ' LEU . 1.7 tt -53.58 -32.14 49.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.91 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.689 HD11 HD11 ' A' ' 57' ' ' ILE . 1.9 tp -61.77 -56.49 19.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.901 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.409 ' HB1' HD12 ' A' ' 65' ' ' ILE . . . -58.75 -40.4 83.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.09 179.834 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.542 ' O ' HG23 ' A' ' 59' ' ' VAL . 25.2 mt-30 -39.44 -36.46 0.37 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.957 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.68 HG12 ' HB1' ' A' ' 27' ' ' ALA . 4.5 mp -85.35 -55.35 6.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.118 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.689 HD11 HD11 ' A' ' 53' ' ' LEU . 14.4 mt -42.59 -55.67 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.113 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.422 ' O ' ' N ' ' A' ' 62' ' ' ASN . 32.1 mt-30 -52.72 -37.63 59.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.908 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.542 HG23 ' O ' ' A' ' 55' ' ' GLN . 82.0 t -70.83 -67.55 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.16 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 10.9 p -51.17 -30.5 9.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.094 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -90.63 -25.73 19.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.117 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.422 ' N ' ' O ' ' A' ' 58' ' ' GLN . 3.8 m120 71.74 31.94 2.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.914 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -137.03 154.45 50.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.902 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 10.4 ttpp -104.08 129.91 51.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.866 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.409 HD12 ' HB1' ' A' ' 54' ' ' ALA . 10.0 mt -91.05 120.61 40.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.12 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -86.71 -18.24 31.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.873 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -84.69 32.97 0.51 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.839 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 29.9 mm -114.05 125.22 71.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.115 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 53.0 t30 -66.84 -61.97 1.68 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 110.6 -64.14 0.26 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.51 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 20.7 p -120.01 83.95 31.84 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.543 0.687 . . . . 0.0 110.869 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 137.06 34.46 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.698 2.266 . . . . 0.0 112.332 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.417 ' HD2' ' N ' ' A' ' 73' ' ' LYS . 0.0 OUTLIER -111.08 -45.51 3.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.905 179.909 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -86.83 168.88 13.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.884 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.17 -25.35 61.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.835 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 82.1 p -88.85 -28.16 20.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.888 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 24.3 mm-40 -53.86 -28.19 34.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.858 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 19.8 mtt -73.08 -43.77 61.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.879 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.453 ' CD1' ' HA ' ' A' ' 102' ' ' GLU . 47.9 mm -41.93 -55.08 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.154 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -47.81 -54.59 11.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.866 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.452 ' CB ' ' O ' ' A' ' 49' ' ' ASP . 1.8 m-20 -38.5 -69.92 0.11 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.88 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.596 HG21 HD12 ' A' ' 104' ' ' ILE . 18.2 mt -54.88 -44.4 72.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.113 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -48.32 -53.82 16.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.922 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -50.89 -44.12 59.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.095 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 42.6 m -61.89 -51.46 68.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.86 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 73.8 mt -51.75 -47.53 64.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.897 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 69.4 m-80 -69.46 -42.6 74.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.908 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.531 ' CD1' ' C ' ' A' ' 88' ' ' PHE . 1.2 t80 -57.23 -37.4 72.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.908 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 22.8 mt -70.04 -56.62 6.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.896 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -43.94 -41.48 5.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.142 179.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -61.07 -40.06 92.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.117 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 63.9 mmtt -63.19 -25.41 68.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.854 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 119.89 35.89 0.87 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.496 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.668 HD11 ' HB2' ' A' ' 122' ' ' TYR . 31.7 mt . . . . . 0 C--N 1.329 -0.317 0 CA-C-O 120.848 0.356 . . . . 0.0 111.14 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.459 -0.256 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 22.3 mt -68.17 175.39 3.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.828 0.347 . . . . 0.0 110.925 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 15.3 m -151.99 106.64 3.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.883 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -44.43 -48.73 9.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.154 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.453 ' HA ' ' CD1' ' A' ' 79' ' ' ILE . 29.2 tt0 -55.3 -54.64 40.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -50.74 -53.92 27.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.921 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.596 HD12 HG21 ' A' ' 82' ' ' ILE . 10.0 mt -47.53 -50.77 8.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.169 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 21.4 ttt-85 -55.27 -30.09 59.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.894 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 82.1 m-20 -81.41 -13.82 57.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 89.87 24.71 29.25 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.486 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . 0.814 ' O ' HD12 ' A' ' 112' ' ' ILE . 13.8 t30 -66.5 99.45 0.57 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.901 0.382 . . . . 0.0 110.885 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.437 ' O ' ' C ' ' A' ' 110' ' ' LYS . 4.2 tp -37.31 -69.9 0.11 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.896 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . 0.484 ' HD2' HD13 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -34.54 -42.19 0.14 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.939 179.857 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . 0.42 ' HB3' ' O ' ' A' ' 108' ' ' ASN . . . -68.24 -63.33 1.08 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.08 179.828 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.814 HD12 ' O ' ' A' ' 108' ' ' ASN . 5.4 mp -52.95 -56.26 8.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.115 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.522 HD11 ' O ' ' A' ' 16' ' ' LEU . 32.8 mt -48.93 -54.26 16.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.938 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -51.73 -40.82 49.49 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.507 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 1.0 HD23 ' N ' ' A' ' 116' ' ' PHE . 0.1 OUTLIER -60.06 -58.82 6.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.864 0.364 . . . . 0.0 110.929 -179.933 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 1.0 ' N ' HD23 ' A' ' 115' ' ' LEU . 10.7 m-85 -63.12 -17.86 62.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.879 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . 0.467 ' CD1' ' C ' ' A' ' 117' ' ' PHE . 4.6 t80 -73.43 -35.99 65.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.878 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 5.7 t -93.88 -35.45 12.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.845 -179.783 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.431 ' O ' HD12 ' A' ' 119' ' ' LEU . 3.5 tp -56.87 -57.04 14.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.894 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 34.3 t -44.44 -41.22 6.1 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.876 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 11.8 mmp_? -46.93 -50.86 18.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.897 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' TYR . . . . . 0.668 ' HB2' HD11 ' A' ' 94' ' ' ILE . 17.1 t80 -40.94 -53.28 2.97 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.893 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 10.4 tptp -73.28 -48.75 32.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.903 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 36.5 mm-40 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.917 179.96 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.4 ' O ' ' N ' ' A' ' 18' ' ' ASP . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 61.6 mt -38.49 -52.54 1.59 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.762 0.315 . . . . 0.0 110.939 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -60.05 -40.53 89.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.917 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.4 ' N ' ' O ' ' A' ' 15' ' ' GLY . 11.1 m-20 -66.17 -28.85 69.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.852 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.507 ' HA ' HD12 ' A' ' 22' ' ' ILE . 25.7 mt-30 -67.53 -45.72 74.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.926 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 27.0 tttt -43.15 -43.77 4.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.89 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.9 tpt180 -66.13 -50.36 64.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.856 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.507 HD12 ' HA ' ' A' ' 19' ' ' GLN . 59.1 mt -51.59 -46.69 37.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.168 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.411 ' CG ' ' HB3' ' A' ' 116' ' ' PHE . 21.7 m-85 -66.79 -47.05 73.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.945 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.499 ' O ' ' ND2' ' A' ' 28' ' ' ASN . 53.5 m -46.26 -45.01 16.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.125 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -71.15 -38.94 72.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.896 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . 0.574 ' CZ2' ' HA ' ' A' ' 120' ' ' SER . 76.8 t90 -54.53 -47.08 73.57 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.937 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.847 ' HB1' HG12 ' A' ' 56' ' ' ILE . . . -71.84 -42.85 66.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.11 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.499 ' ND2' ' O ' ' A' ' 24' ' ' THR . 1.8 m-80 -45.5 -43.24 11.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.855 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 2.8 t60 -54.05 -49.22 69.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.496 ' HB2' HG23 ' A' ' 56' ' ' ILE . 79.0 m-85 -65.47 -19.97 66.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.941 -179.881 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.547 HD11 HD21 ' A' ' 52' ' ' LEU . 27.2 mt -86.35 -39.61 16.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.907 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -77.78 -27.31 50.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.117 179.8 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.5 ptmm? -70.54 -35.72 73.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.938 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.1 m -92.49 24.07 3.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.851 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 50.45 71.13 0.68 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.494 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.455 ' CE1' ' HB3' ' A' ' 38' ' ' ARG . 12.7 t-80 -110.18 128.76 55.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.867 0.365 . . . . 0.0 110.869 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.0 mptt -84.05 46.68 1.22 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.455 ' HB3' ' CE1' ' A' ' 36' ' ' HIS . 40.1 ttm180 -174.78 153.55 1.77 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.886 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 39.8 mt -132.6 178.96 6.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.936 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.69 HG23 ' HB2' ' A' ' 46' ' ' ASP . 96.7 mt -100.94 115.03 41.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.152 179.81 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 69.6 mtm180 -88.8 -60.45 1.96 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.909 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.473 ' O ' ' N ' ' A' ' 45' ' ' GLN . 1.6 m-20 -113.82 98.92 7.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.856 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.668 HD11 ' CE2' ' A' ' 116' ' ' PHE . 13.1 tp -41.27 -39.87 1.48 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.902 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.543 ' CD ' HD13 ' A' ' 109' ' ' LEU . 26.1 mt-30 -67.71 -35.71 79.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.912 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.473 ' N ' ' O ' ' A' ' 42' ' ' ASP . 30.0 mt-30 -97.78 5.31 49.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.927 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.69 ' HB2' HG23 ' A' ' 40' ' ' ILE . 0.2 OUTLIER -94.57 -30.34 14.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 179.932 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.643 HG12 ' HB2' ' A' ' 53' ' ' LEU . 23.8 m -108.32 33.41 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.09 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 2.5 p -85.08 -35.93 21.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.146 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -98.96 -21.34 16.31 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.829 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 89.17 -24.65 12.58 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.47 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 58.8 t -54.71 -69.85 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.815 0.341 . . . . 0.0 111.105 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.674 ' O ' HD12 ' A' ' 56' ' ' ILE . 2.2 tt -50.82 -41.98 57.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.893 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.831 HD11 HD11 ' A' ' 57' ' ' ILE . 2.4 tp -52.52 -47.31 66.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.885 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.94 -37.37 85.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.085 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.524 ' O ' HG23 ' A' ' 59' ' ' VAL . 25.7 mt-30 -48.36 -22.82 0.76 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.965 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.847 HG12 ' HB1' ' A' ' 27' ' ' ALA . 5.3 mp -98.14 -49.0 12.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.137 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.831 HD11 HD11 ' A' ' 53' ' ' LEU . 79.7 mt -51.36 -49.3 31.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.093 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -56.77 -28.56 61.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.926 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.524 HG23 ' O ' ' A' ' 55' ' ' GLN . 10.6 t -79.75 -66.25 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.143 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.406 HG13 ' N ' ' A' ' 61' ' ' ALA . 6.2 p -50.29 -42.08 20.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.141 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.406 ' N ' HG13 ' A' ' 60' ' ' VAL . . . -83.66 -12.37 56.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.093 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 57.2 t30 56.88 41.37 28.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.939 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -139.6 160.85 38.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 10.7 ttpt -110.7 131.03 55.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.409 ' CG2' HG12 ' A' ' 68' ' ' ILE . 12.4 mt -97.54 118.76 44.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.113 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -87.79 -17.71 31.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.91 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.508 ' HB3' ' HB1' ' A' ' 84' ' ' ALA . 13.9 t0 -86.49 33.77 0.64 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.868 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.409 HG12 ' CG2' ' A' ' 65' ' ' ILE . 44.6 mm -114.31 129.68 69.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.114 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 42.2 t30 -64.42 -70.89 0.2 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.857 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 106.6 -39.36 2.9 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.494 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 10.8 t -133.63 75.29 68.92 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.604 0.716 . . . . 0.0 110.891 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 140.15 41.96 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.65 2.233 . . . . 0.0 112.384 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 22.6 mmtp -130.32 -36.26 1.5 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.9 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -90.12 166.82 13.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.949 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -70.11 -25.54 63.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.461 ' O ' ' N ' ' A' ' 79' ' ' ILE . 24.4 p -91.05 -43.31 10.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.866 -179.818 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -41.11 -35.88 0.63 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.917 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 18.3 mtt -66.59 -39.06 88.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.905 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.461 ' N ' ' O ' ' A' ' 76' ' ' SER . 16.8 mm -51.31 -56.45 5.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.159 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -43.62 -54.21 5.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.865 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -40.32 -69.46 0.13 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 24.1 mt -54.14 -43.4 59.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.111 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -50.15 -56.59 10.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.508 ' HB1' ' HB3' ' A' ' 67' ' ' ASP . . . -49.17 -46.38 45.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.113 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 83.9 m -58.27 -39.85 80.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.886 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 45.7 mt -66.57 -45.41 79.39 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.912 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 58.0 m-80 -68.05 -34.28 76.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.888 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.46 ' CD1' ' C ' ' A' ' 88' ' ' PHE . 2.1 t80 -70.36 -42.48 71.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.855 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 30.5 mt -68.98 -40.56 78.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.913 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -55.75 -42.49 75.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.086 179.789 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -59.55 -25.82 64.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.143 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 38.1 mmtt -79.9 -23.43 41.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.928 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 118.61 36.61 0.9 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.505 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.751 HD11 ' HB2' ' A' ' 122' ' ' TYR . 61.9 mt . . . . . 0 C--N 1.33 -0.278 0 CA-C-O 120.879 0.371 . . . . 0.0 111.093 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 60.1 mt -59.86 168.52 1.75 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.755 0.312 . . . . 0.0 110.96 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 22.4 m -153.85 107.46 2.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.841 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -45.48 -52.13 10.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.104 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -51.1 -49.21 61.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.878 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -61.41 -42.37 98.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.477 ' CG2' HG23 ' A' ' 47' ' ' VAL . 58.6 mt -61.07 -45.54 98.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.116 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 28.3 ttt-85 -61.26 -28.95 69.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.878 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 35.1 m-20 -74.81 -25.5 59.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.893 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 96.54 24.39 14.01 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.483 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . 0.672 ' O ' HD12 ' A' ' 112' ' ' ILE . 59.8 t30 -71.93 104.43 3.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.806 0.336 . . . . 0.0 110.882 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.543 HD13 ' CD ' ' A' ' 44' ' ' GLN . 10.8 tp -40.89 -52.49 3.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.923 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 3.8 mmmm -45.46 -40.58 8.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.954 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -70.73 -65.71 0.7 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.109 179.781 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.743 ' H ' HD12 ' A' ' 112' ' ' ILE . 5.3 mp -44.36 -61.08 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.116 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.418 ' O ' ' CB ' ' A' ' 117' ' ' PHE . 63.5 mt -46.44 -39.24 10.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.974 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -64.76 -37.63 94.59 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.489 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.999 HD23 ' N ' ' A' ' 116' ' ' PHE . 0.1 OUTLIER -69.68 -58.84 3.44 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.922 0.391 . . . . 0.0 110.969 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.999 ' N ' HD23 ' A' ' 115' ' ' LEU . 10.7 m-85 -63.68 -15.51 58.57 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.931 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . 0.568 ' CD1' ' C ' ' A' ' 117' ' ' PHE . 0.6 OUTLIER -77.49 -35.83 53.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.875 -179.958 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 9.9 p -93.86 -34.18 13.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.813 -179.765 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 14.0 tp -60.01 -53.48 57.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.933 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . 0.574 ' HA ' ' CZ2' ' A' ' 26' ' ' TRP . 8.9 t -50.43 -32.4 17.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 36.6 mtp85 -63.07 -48.38 78.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.862 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' TYR . . . . . 0.751 ' HB2' HD11 ' A' ' 94' ' ' ILE . 0.4 OUTLIER -39.6 -43.0 1.26 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.925 -179.87 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 8.6 tptp -88.94 -54.76 3.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.905 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 22.0 mm-40 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 179.989 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.432 ' O ' ' C ' ' A' ' 16' ' ' LEU . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.521 ' HB3' HD23 ' A' ' 109' ' ' LEU . 86.5 mt -35.93 -58.22 0.65 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.794 0.33 . . . . 0.0 110.931 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -55.12 -43.93 74.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.923 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -60.28 -32.71 71.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.87 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.515 ' HA ' HD12 ' A' ' 22' ' ' ILE . 31.5 mt-30 -61.29 -53.57 55.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.909 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.714 ' HB2' HD11 ' A' ' 109' ' ' LEU . 40.9 tttt -36.16 -48.78 0.64 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.926 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.459 ' HD2' ' N ' ' A' ' 22' ' ' ILE . 1.6 tmm_? -59.35 -59.09 6.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.859 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.515 HD12 ' HA ' ' A' ' 19' ' ' GLN . 62.0 mt -41.41 -50.32 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.124 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.525 ' HB2' HD22 ' A' ' 43' ' ' LEU . 24.9 m-85 -67.42 -51.16 55.07 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.907 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 53.4 m -41.48 -58.38 1.92 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.12 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -60.0 -41.75 92.76 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.87 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 81.0 t90 -53.69 -44.33 69.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.92 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.628 ' HB1' HG12 ' A' ' 56' ' ' ILE . . . -75.0 -38.41 61.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.053 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.809 ' OD1' HD22 ' A' ' 39' ' ' LEU . 1.9 m-80 -48.86 -32.36 8.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.877 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -64.38 -53.16 53.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.423 ' HB2' HG23 ' A' ' 56' ' ' ILE . 78.5 m-85 -60.81 -21.62 63.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.878 -179.829 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.419 HD11 HD21 ' A' ' 52' ' ' LEU . 19.2 mt -86.64 -41.9 13.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.889 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -72.27 -27.65 62.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.151 179.773 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.5 ptmt -70.96 -39.65 72.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.898 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.4 t -84.8 26.64 0.81 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.895 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 49.21 58.04 8.38 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.489 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.595 ' CD2' ' HB3' ' A' ' 38' ' ' ARG . 58.5 t60 -96.72 122.75 40.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.855 0.36 . . . . 0.0 110.841 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -79.19 50.34 1.05 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.595 ' HB3' ' CD2' ' A' ' 36' ' ' HIS . 33.9 ttm180 -176.07 169.65 2.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.89 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.809 HD22 ' OD1' ' A' ' 28' ' ' ASN . 59.5 mt -144.12 171.95 13.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.923 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.478 HG23 ' CG ' ' A' ' 46' ' ' ASP . 44.3 mt -94.71 112.49 27.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.129 179.801 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 6.7 tpm_? -84.64 -61.91 1.68 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.857 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.424 ' HA ' ' CE ' ' A' ' 20' ' ' LYS . 6.3 m-20 -114.94 100.03 7.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.849 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.85 HD11 ' CE2' ' A' ' 116' ' ' PHE . 13.8 tp -44.85 -24.29 0.2 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.868 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 44.2 mt-30 -78.23 -39.93 38.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.894 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.707 ' HA ' HG23 ' A' ' 48' ' ' THR . 96.2 mm-40 -85.69 -54.65 4.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.478 ' CG ' HG23 ' A' ' 40' ' ' ILE . 5.2 m-20 -42.55 -23.49 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.869 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.611 HG22 ' O ' ' A' ' 43' ' ' LEU . 11.3 m -111.05 39.54 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.125 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.707 HG23 ' HA ' ' A' ' 45' ' ' GLN . 7.0 p -94.04 -32.59 13.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.127 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.491 ' O ' ' ND2' ' A' ' 81' ' ' ASN . 0.1 OUTLIER -101.49 -11.97 18.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 179.909 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 78.21 -13.26 15.88 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.501 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.573 HG21 ' O ' ' A' ' 70' ' ' GLY . 62.7 t -66.65 -65.11 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.851 0.358 . . . . 0.0 111.151 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.636 ' O ' HD23 ' A' ' 52' ' ' LEU . 2.0 tt -56.67 -28.79 61.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.943 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.594 HD12 ' O ' ' A' ' 53' ' ' LEU . 1.2 tp -64.83 -56.22 14.81 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.879 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.513 ' HB1' HD12 ' A' ' 65' ' ' ILE . . . -56.99 -36.52 70.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.115 179.77 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.521 ' O ' HG23 ' A' ' 59' ' ' VAL . 19.0 mt-30 -44.18 -30.46 0.78 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.628 HG12 ' HB1' ' A' ' 27' ' ' ALA . 5.0 mp -90.98 -45.38 14.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.117 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.501 HD11 HD11 ' A' ' 53' ' ' LEU . 15.8 mt -54.95 -42.61 64.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.134 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 29.6 mt-30 -68.63 -17.46 64.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.922 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.521 HG23 ' O ' ' A' ' 55' ' ' GLN . 78.7 t -93.79 -36.81 7.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.105 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.613 HG12 ' O ' ' A' ' 56' ' ' ILE . 3.3 p -84.93 -27.4 6.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.171 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -94.89 -13.42 25.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.135 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 5.6 m120 61.0 47.08 7.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.925 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 8.4 tm-20 -152.35 161.07 43.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 21.3 ttpt -110.22 132.0 54.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.904 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.513 HD12 ' HB1' ' A' ' 54' ' ' ALA . 12.7 mt -94.77 102.83 14.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.119 179.866 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -74.09 -15.74 61.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -86.52 37.24 0.73 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.909 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 30.7 mm -117.62 120.75 65.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.161 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.549 HD21 ' NE2' ' A' ' 77' ' ' GLN . 35.9 t-20 -60.44 -50.71 72.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.872 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . 0.573 ' O ' HG21 ' A' ' 51' ' ' VAL . . . 101.7 -75.71 0.35 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.428 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 1.8 m -112.61 76.56 2.12 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.652 0.739 . . . . 0.0 110.899 -179.834 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.82 137.24 34.84 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.682 2.255 . . . . 0.0 112.308 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.26 -21.22 5.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.901 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -92.52 140.32 29.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.916 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 5.8 tpt180 -48.29 -24.99 1.36 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.879 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 65.4 p -96.87 -28.13 14.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.852 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.549 ' NE2' HD21 ' A' ' 69' ' ' ASN . 6.8 mm-40 -47.42 -41.1 19.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.887 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 2.1 mpt? -66.27 -46.42 77.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 47.5 mm -41.15 -51.82 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.11 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -52.41 -44.47 65.39 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.915 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.491 ' ND2' ' O ' ' A' ' 49' ' ' ASP . 3.0 m120 -47.47 -70.45 0.09 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.921 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.751 ' H ' HD12 ' A' ' 82' ' ' ILE . 5.3 mp -50.5 -41.0 19.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.134 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -56.46 -47.15 79.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.897 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -53.25 -48.1 68.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.083 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 34.1 m -58.64 -45.06 90.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 79.2 mt -59.22 -45.31 91.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 68.9 m-80 -69.85 -38.85 76.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.457 ' CZ ' ' NZ ' ' A' ' 92' ' ' LYS . 1.3 t80 -62.56 -40.0 95.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.884 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 27.2 mt -67.6 -49.97 60.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.974 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -49.26 -41.02 36.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.144 179.745 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -63.07 -26.44 68.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.128 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.457 ' NZ ' ' CZ ' ' A' ' 88' ' ' PHE . 28.9 mmtp -80.62 -13.56 58.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 106.77 33.97 3.16 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.506 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.643 HD11 ' HB2' ' A' ' 122' ' ' TYR . 47.1 mt . . . . . 0 C--N 1.329 -0.294 0 CA-C-O 120.822 0.344 . . . . 0.0 111.112 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.252 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 78.3 mt -64.95 159.65 22.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.847 0.356 . . . . 0.0 110.882 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 42.4 m -137.9 107.95 6.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.854 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.405 ' HA ' HG21 ' A' ' 82' ' ' ILE . . . -49.37 -37.29 24.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.07 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -63.97 -50.12 69.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.865 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -55.51 -40.54 71.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.888 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.666 HD12 ' CG2' ' A' ' 82' ' ' ILE . 16.8 mt -63.73 -44.57 98.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.11 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 8.3 ttt85 -57.58 -32.2 66.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.848 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 39.9 m-20 -77.85 -24.28 48.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 96.35 35.07 5.6 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.516 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . 0.686 ' O ' HD12 ' A' ' 112' ' ' ILE . 0.2 OUTLIER -78.88 106.23 10.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.82 0.343 . . . . 0.0 110.897 -179.881 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.714 HD11 ' HB2' ' A' ' 20' ' ' LYS . 8.7 tp -43.93 -51.11 7.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . 0.462 ' HB2' ' ND2' ' A' ' 108' ' ' ASN . 3.6 mmmp? -51.2 -31.53 20.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.866 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -78.63 -60.45 2.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.167 179.784 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.792 ' H ' HD12 ' A' ' 112' ' ' ILE . 4.9 mp -51.08 -57.74 2.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.164 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.454 HD13 ' OE1' ' A' ' 19' ' ' GLN . 62.8 mt -40.88 -49.66 3.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.912 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -53.87 -42.77 70.24 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.449 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 1.001 HD23 ' N ' ' A' ' 116' ' ' PHE . 0.2 OUTLIER -64.19 -59.96 3.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.859 0.361 . . . . 0.0 110.95 -179.939 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 1.001 ' N ' HD23 ' A' ' 115' ' ' LEU . 10.9 m-85 -64.45 -16.31 62.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . 0.423 ' CD1' ' C ' ' A' ' 117' ' ' PHE . 9.0 t80 -76.79 -32.53 57.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.868 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 3.0 m -94.62 -46.17 7.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.868 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 8.2 tp -45.55 -54.54 7.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.911 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 25.2 p -47.29 -43.48 22.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 65.4 mtp180 -51.43 -53.2 39.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.914 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' TYR . . . . . 0.643 ' HB2' HD11 ' A' ' 94' ' ' ILE . 1.0 OUTLIER -42.02 -47.02 4.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.958 -179.9 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 16.5 tptp -72.21 -53.86 11.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.902 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.929 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 N-CA-C 112.459 -0.256 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 89.5 mt -39.41 -56.7 1.54 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.768 0.318 . . . . 0.0 110.955 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.452 ' OE2' HD22 ' A' ' 109' ' ' LEU . 27.3 mm-40 -55.0 -42.45 72.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.41 -38.04 85.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.839 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.432 ' O ' ' C ' ' A' ' 20' ' ' LYS . 20.5 mt-30 -55.36 -54.87 38.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.9 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' A' ' 19' ' ' GLN . 29.3 tttt -34.39 -41.57 0.12 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.428 ' O ' ' C ' ' A' ' 22' ' ' ILE . 28.8 ttt85 -67.63 -60.4 2.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.854 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.428 ' C ' ' O ' ' A' ' 21' ' ' ARG . 92.7 mt -35.8 -53.87 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.146 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 25.0 m-85 -66.15 -45.79 79.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.854 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.516 HG22 ' ND2' ' A' ' 28' ' ' ASN . 59.3 m -46.19 -55.03 7.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.139 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -62.14 -41.18 98.02 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.863 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 80.8 t90 -57.12 -55.15 38.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.939 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.78 ' HB1' HD13 ' A' ' 56' ' ' ILE . . . -63.66 -50.24 70.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.101 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.516 ' ND2' HG22 ' A' ' 24' ' ' THR . 19.9 m-20 -40.63 -43.37 1.9 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.848 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.55 ' CE1' ' HE2' ' A' ' 33' ' ' LYS . 6.5 t60 -51.71 -46.86 64.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.82 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.44 ' HB2' HG23 ' A' ' 56' ' ' ILE . 82.8 m-85 -63.75 -23.78 67.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.992 -179.862 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.45 ' O ' ' CB ' ' A' ' 36' ' ' HIS . 19.3 mt -80.84 -40.68 24.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.919 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -71.43 -46.45 60.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.072 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.55 ' HE2' ' CE1' ' A' ' 29' ' ' HIS . 12.1 ptpt -57.55 -35.56 70.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.914 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.43 ' O ' ' C ' ' A' ' 35' ' ' GLY . 7.1 t -88.13 38.03 0.84 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.891 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.43 ' C ' ' O ' ' A' ' 34' ' ' SER . . . 35.71 65.33 0.47 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.493 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.567 ' CD2' ' HB3' ' A' ' 38' ' ' ARG . 14.3 t60 -111.75 135.84 51.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.859 0.361 . . . . 0.0 110.848 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 40.3 mttp -97.34 53.89 1.18 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.898 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.567 ' HB3' ' CD2' ' A' ' 36' ' ' HIS . 9.5 ttp-105 -176.05 133.27 0.25 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.865 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 45.5 mt -109.4 -175.46 2.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.938 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.803 HD11 HD11 ' A' ' 56' ' ' ILE . 68.4 mt -102.57 113.05 38.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.143 179.815 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 18.3 mmt180 -83.48 -65.69 0.98 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.864 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.427 ' O ' ' N ' ' A' ' 46' ' ' ASP . 1.0 OUTLIER -115.32 98.06 6.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.822 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.416 HD11 ' CE2' ' A' ' 116' ' ' PHE . 15.2 tp -38.11 -38.38 0.33 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.939 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.831 ' O ' HG23 ' A' ' 48' ' ' THR . 90.7 mt-30 -66.49 -46.99 74.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.931 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.41 ' N ' ' O ' ' A' ' 42' ' ' ASP . 5.0 mm100 -84.27 -8.14 59.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.958 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.772 ' CG ' HG23 ' A' ' 40' ' ' ILE . 0.9 OUTLIER -90.46 -3.61 57.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 179.913 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 15.4 m -127.49 -10.28 4.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.137 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.831 HG23 ' O ' ' A' ' 44' ' ' GLN . 11.2 p -60.18 -42.21 94.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.133 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -81.19 -30.72 34.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.857 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 87.91 -28.59 5.92 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.466 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 60.1 t -55.92 -67.46 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.897 0.379 . . . . 0.0 111.114 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.737 HD13 ' OD2' ' A' ' 46' ' ' ASP . 1.3 tt -54.82 -38.2 67.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.908 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.492 HD11 HD11 ' A' ' 57' ' ' ILE . 1.9 tp -56.04 -55.42 33.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.449 ' O ' ' N ' ' A' ' 56' ' ' ILE . . . -54.81 -45.3 74.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.085 179.845 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.561 ' NE2' ' CE1' ' A' ' 36' ' ' HIS . 14.4 mt-30 -39.11 -27.87 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.922 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.803 HD11 HD11 ' A' ' 40' ' ' ILE . 18.0 mt -90.0 -53.65 8.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.125 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.492 HD11 HD11 ' A' ' 53' ' ' LEU . 66.6 mt -47.99 -46.18 12.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.148 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -58.47 -29.04 65.89 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.907 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.438 HG23 ' O ' ' A' ' 55' ' ' GLN . 98.2 t -82.43 -57.84 4.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.074 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 7.5 p -62.3 -26.08 39.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.098 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.446 ' HB3' ' O ' ' A' ' 57' ' ' ILE . . . -96.28 -10.45 27.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.113 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 18.5 m-80 56.3 32.99 21.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.86 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -139.03 170.54 15.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 20.1 tttt -119.93 137.52 54.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.957 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.471 ' HB ' ' CG1' ' A' ' 68' ' ' ILE . 23.4 mt -97.69 114.03 33.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.131 179.872 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -74.4 -27.84 60.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.877 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.496 ' O ' ' HB2' ' A' ' 84' ' ' ALA . 13.3 m-20 -79.61 44.19 0.61 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.893 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.471 ' CG1' ' HB ' ' A' ' 65' ' ' ILE . 32.8 mm -118.42 128.58 75.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.162 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 46.7 t-20 -75.36 -58.54 3.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.919 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 98.51 -36.6 3.9 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.519 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 33.7 m -129.72 73.78 81.23 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.649 0.738 . . . . 0.0 110.887 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 106.72 1.72 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.689 2.259 . . . . 0.0 112.335 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 23.7 mtmm -109.39 -48.05 3.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.911 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 25.0 t30 -63.59 168.2 4.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.908 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 10.1 tpp180 -71.93 -37.09 70.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.878 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 67.3 p -90.91 -24.27 20.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.845 -179.786 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 6.4 mm-40 -47.09 -47.65 22.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.891 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 14.6 mtt -52.84 -49.96 64.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.902 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.437 ' O ' ' C ' ' A' ' 80' ' ' GLU . 51.0 mm -41.58 -62.82 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.105 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.437 ' C ' ' O ' ' A' ' 79' ' ' ILE . 24.7 mm-40 -35.23 -60.68 0.47 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 21.7 m-20 -39.21 -69.22 0.13 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.849 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.575 HD11 ' O ' ' A' ' 48' ' ' THR . 46.2 mt -52.77 -38.7 28.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.179 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -56.93 -50.19 73.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.89 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.496 ' HB2' ' O ' ' A' ' 67' ' ' ASP . . . -51.21 -44.09 61.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.122 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . 0.44 ' HB3' ' CD1' ' A' ' 57' ' ' ILE . 56.5 m -61.18 -44.1 97.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 -179.895 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 53.9 mt -63.37 -54.52 35.52 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.94 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 66.3 m-80 -62.76 -37.28 86.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.869 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.445 ' HE2' HG22 ' A' ' 57' ' ' ILE . 27.3 t80 -67.07 -35.55 80.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.872 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 44.7 mt -74.38 -43.9 54.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.919 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -50.91 -50.61 57.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.085 179.819 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -51.14 -30.25 16.01 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.091 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.411 ' NZ ' ' HB1' ' A' ' 61' ' ' ALA . 22.6 mmtp -74.79 -25.17 58.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.879 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 118.66 38.42 0.77 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.471 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.789 HD11 ' HB2' ' A' ' 122' ' ' TYR . 62.3 mt . . . . . 0 C--N 1.329 -0.309 0 CA-C-O 120.877 0.37 . . . . 0.0 111.131 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 42.3 mt -64.29 177.01 0.91 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.815 0.341 . . . . 0.0 110.925 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 4.1 m -158.41 112.91 2.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.859 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -47.48 -46.57 27.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.082 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -54.34 -52.35 61.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.914 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -58.37 -47.1 84.92 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.939 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 45.7 mt -57.95 -42.03 81.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.155 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 7.2 ttt-85 -63.24 -28.43 70.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.896 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 48.7 m-80 -73.15 -28.39 62.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.888 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 97.38 25.01 11.41 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.419 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . 0.85 ' O ' HD12 ' A' ' 112' ' ' ILE . 40.6 t-20 -74.16 109.11 7.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.851 0.358 . . . . 0.0 110.92 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.456 ' CD2' HD11 ' A' ' 113' ' ' LEU . 3.1 tp -43.3 -50.74 6.55 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 4.5 mmmp? -51.38 -35.14 37.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.858 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -75.63 -60.75 2.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.095 179.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.85 HD12 ' O ' ' A' ' 108' ' ' ASN . 5.4 mp -52.06 -61.05 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.131 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.456 HD11 ' CD2' ' A' ' 109' ' ' LEU . 90.7 mt -39.12 -42.69 0.96 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.953 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -58.93 -50.04 71.92 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.484 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.945 HD23 ' N ' ' A' ' 116' ' ' PHE . 0.3 OUTLIER -52.09 -59.21 4.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.897 0.38 . . . . 0.0 110.931 -179.941 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.945 ' N ' HD23 ' A' ' 115' ' ' LEU . 10.9 m-85 -64.29 -28.38 69.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . 0.485 ' CD1' ' C ' ' A' ' 117' ' ' PHE . 1.9 t80 -62.92 -34.09 76.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.865 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 46.0 m -94.84 -48.42 6.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.832 -179.774 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 12.6 tp -41.92 -55.57 3.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.908 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 3.0 t -46.01 -44.18 14.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.805 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . 0.444 ' NH1' ' HB3' ' A' ' 121' ' ' ARG . 11.7 mtp-105 -50.1 -54.68 18.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.836 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' TYR . . . . . 0.789 ' HB2' HD11 ' A' ' 94' ' ' ILE . 2.7 t80 -39.51 -44.64 1.44 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.895 -179.854 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 20.5 tptp -79.31 -44.77 20.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.927 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 179.918 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 N-CA-C 112.532 -0.227 . . . . 0.0 112.532 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.525 ' O ' HD11 ' A' ' 113' ' ' LEU . 95.6 mt -44.8 -59.4 2.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.753 0.311 . . . . 0.0 110.916 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.454 ' HG2' ' N ' ' A' ' 18' ' ' ASP . 1.9 pm0 -55.4 -33.27 63.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.905 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.454 ' N ' ' HG2' ' A' ' 17' ' ' GLU . 1.1 m-20 -71.41 -35.01 70.85 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.536 ' HA ' HD12 ' A' ' 22' ' ' ILE . 22.8 mt-30 -60.68 -43.95 97.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.919 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 35.1 tttt -41.68 -40.73 2.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 17.5 tpt180 -68.61 -50.88 48.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.536 HD12 ' HA ' ' A' ' 19' ' ' GLN . 66.3 mt -48.79 -45.81 15.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.169 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 29.8 m-85 -68.25 -45.25 73.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.492 ' O ' ' ND2' ' A' ' 28' ' ' ASN . 53.3 m -44.41 -51.35 8.71 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.18 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -62.78 -42.98 99.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.849 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 66.9 t90 -53.08 -51.66 61.1 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.882 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.837 ' HB1' HG12 ' A' ' 56' ' ' ILE . . . -67.11 -38.83 86.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.118 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.687 ' OD1' HD22 ' A' ' 39' ' ' LEU . 1.3 m-80 -48.07 -47.77 33.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.866 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 7.7 t60 -48.13 -54.01 14.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.885 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 83.7 m-85 -57.81 -27.5 63.18 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.912 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.561 HD11 HD21 ' A' ' 52' ' ' LEU . 12.0 mt -78.74 -45.79 20.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.886 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.69 -45.15 87.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.101 179.793 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.6 ptmm? -58.29 -35.43 71.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.886 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 38.0 t -91.81 31.79 1.18 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.864 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 46.46 69.63 0.81 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.509 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.535 ' CG ' HD22 ' A' ' 31' ' ' LEU . 6.5 t60 -134.11 78.63 1.77 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.886 0.374 . . . . 0.0 110.841 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.455 ' C ' ' O ' ' A' ' 36' ' ' HIS . 26.4 mttm -34.16 -63.88 0.26 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.911 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.45 ' HB3' ' CD2' ' A' ' 36' ' ' HIS . 47.0 ttm-85 -42.4 151.72 0.11 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.864 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.687 HD22 ' OD1' ' A' ' 28' ' ' ASN . 66.2 mt -135.62 169.98 16.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.932 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.416 HD12 ' HB3' ' A' ' 27' ' ' ALA . 91.8 mt -85.03 103.08 11.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.098 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 37.2 mmt-85 -83.16 -58.05 3.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.848 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.413 ' O ' ' N ' ' A' ' 46' ' ' ASP . 1.1 m-20 -115.15 101.29 8.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.874 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.767 ' O ' HG22 ' A' ' 47' ' ' VAL . 10.9 tp -54.67 -37.73 66.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.893 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.679 ' HG2' HD13 ' A' ' 112' ' ' ILE . 16.8 mt-30 -77.43 4.13 11.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.919 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 9.2 mm-40 -129.92 -19.36 3.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.907 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.413 ' N ' ' O ' ' A' ' 42' ' ' ASP . 42.0 m-20 -87.96 -26.35 22.71 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.864 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.767 HG22 ' O ' ' A' ' 43' ' ' LEU . 34.5 m -90.56 -24.98 5.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.182 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 66.7 p -51.37 -45.03 62.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.13 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -74.46 -29.85 61.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.881 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 83.36 -24.91 5.24 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.479 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 86.5 t -59.16 -64.13 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.846 0.355 . . . . 0.0 111.147 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.561 HD21 HD11 ' A' ' 31' ' ' LEU . 2.0 tt -59.33 -37.98 79.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.913 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.591 HD11 HD11 ' A' ' 57' ' ' ILE . 1.7 tp -55.19 -50.12 70.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.406 ' O ' ' C ' ' A' ' 55' ' ' GLN . . . -60.52 -47.08 87.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.105 179.802 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.653 ' O ' HG23 ' A' ' 59' ' ' VAL . 22.6 mt-30 -37.29 -36.46 0.14 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.935 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.837 HG12 ' HB1' ' A' ' 27' ' ' ALA . 3.2 mp -80.52 -49.35 18.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.132 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.591 HD11 HD11 ' A' ' 53' ' ' LEU . 49.7 mt -54.69 -60.43 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.098 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 44.3 mt-30 -45.0 -25.49 0.32 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.92 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.653 HG23 ' O ' ' A' ' 55' ' ' GLN . 83.1 t -86.25 -69.04 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.147 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.419 HG12 ' O ' ' A' ' 56' ' ' ILE . 5.2 p -46.34 -23.56 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.145 179.866 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.756 ' HB1' ' NZ ' ' A' ' 92' ' ' LYS . . . -100.41 -22.55 15.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.131 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.413 ' N ' ' O ' ' A' ' 59' ' ' VAL . 18.4 t30 70.24 31.31 3.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.937 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -133.19 177.5 7.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.878 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 20.1 tttt -126.11 138.54 53.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.927 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.478 ' HB ' ' CG1' ' A' ' 68' ' ' ILE . 15.0 mt -99.72 115.74 41.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.154 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -78.51 -23.25 46.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.469 ' O ' ' HB2' ' A' ' 84' ' ' ALA . 4.7 m-20 -83.75 42.3 0.84 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.854 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.478 ' CG1' ' HB ' ' A' ' 65' ' ' ILE . 35.4 mm -116.82 113.25 42.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.104 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 26.3 t30 -54.24 -54.59 37.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.863 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 104.21 -61.38 0.42 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.475 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 4.0 t -116.69 77.47 8.26 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.573 0.701 . . . . 0.0 110.871 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 131.08 20.5 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.732 2.288 . . . . 0.0 112.367 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 27.9 mtmm -129.61 -49.96 1.16 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.881 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -73.31 170.53 14.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.902 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 27.0 ttm180 -61.75 -54.03 47.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.853 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.422 ' HA ' ' CG1' ' A' ' 79' ' ' ILE . 1.3 t -68.01 -37.75 81.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.863 -179.828 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 6.5 mm-40 -39.61 -48.47 2.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.91 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 15.3 mtm -66.87 -37.65 84.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.422 ' CG1' ' HA ' ' A' ' 76' ' ' SER . 36.3 mm -50.43 -52.57 15.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.133 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -52.0 -47.68 64.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.869 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -45.3 -65.23 0.56 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.893 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 15.3 mt -60.83 -45.46 97.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.157 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -48.11 -48.4 33.86 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.831 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.469 ' HB2' ' O ' ' A' ' 67' ' ' ASP . . . -54.77 -43.57 72.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.131 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 32.1 m -61.4 -43.11 99.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 42.5 mt -63.39 -52.78 60.19 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.881 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 68.3 m-80 -64.15 -37.94 89.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 16.6 t80 -67.61 -38.62 84.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 55.6 mt -71.35 -42.2 68.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.91 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -49.86 -49.91 47.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.107 179.811 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -52.22 -30.1 25.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.081 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.756 ' NZ ' ' HB1' ' A' ' 61' ' ' ALA . 20.2 mmtp -74.81 -23.06 58.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.862 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 116.84 34.69 1.23 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.492 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.517 HD11 ' HB2' ' A' ' 122' ' ' TYR . 54.7 mt . . . . . 0 C--N 1.329 -0.303 0 CA-C-O 120.871 0.367 . . . . 0.0 111.122 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.491 -0.243 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 47.4 mt -60.83 174.5 0.6 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.821 0.343 . . . . 0.0 110.899 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 37.9 m -151.41 117.13 5.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.878 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -57.51 -49.8 75.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.115 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -56.21 -40.01 73.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.888 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -65.79 -48.9 70.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.893 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 77.6 mt -55.84 -43.84 75.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.133 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 12.6 ttt-85 -60.49 -34.86 74.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.836 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 43.0 m-20 -68.74 -26.48 65.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.916 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 98.38 25.73 9.92 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.499 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . 0.565 ' O ' HD12 ' A' ' 112' ' ' ILE . 55.1 t30 -74.12 103.8 4.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.853 0.358 . . . . 0.0 110.906 -179.889 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.644 HD13 ' OE1' ' A' ' 44' ' ' GLN . 23.2 tp -39.97 -52.93 2.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.925 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 5.3 mmmm -43.86 -38.87 3.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -72.74 -61.17 1.9 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.1 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.687 ' H ' HD12 ' A' ' 112' ' ' ILE . 5.1 mp -46.92 -57.53 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.178 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.525 HD11 ' O ' ' A' ' 16' ' ' LEU . 28.1 mt -50.02 -48.17 52.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.943 179.861 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -56.91 -41.67 91.87 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.506 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.926 HD23 ' N ' ' A' ' 116' ' ' PHE . 0.4 OUTLIER -59.36 -61.93 2.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.862 0.363 . . . . 0.0 110.912 -179.934 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.926 ' N ' HD23 ' A' ' 115' ' ' LEU . 14.0 m-85 -65.07 -24.25 67.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.858 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . 0.534 ' CD1' ' C ' ' A' ' 117' ' ' PHE . 2.1 t80 -66.23 -36.71 83.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.839 -179.89 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 18.6 m -94.83 -50.01 5.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.855 -179.792 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 13.0 tp -42.5 -55.62 3.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.887 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 17.6 t -44.47 -42.9 7.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.881 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 68.8 mtp180 -47.5 -50.26 23.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.905 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' TYR . . . . . 0.517 ' HB2' HD11 ' A' ' 94' ' ' ILE . 8.2 t80 -40.06 -55.56 2.05 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.919 -179.85 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 13.7 tptp -67.65 -47.66 68.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.92 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.932 179.919 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.481 ' N ' ' HB2' ' A' ' 18' ' ' ASP . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.713 HD11 ' HE2' ' A' ' 110' ' ' LYS . 28.3 mt -35.88 -53.34 0.75 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.806 0.336 . . . . 0.0 110.92 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -64.75 -40.75 95.83 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.481 ' HB2' ' N ' ' A' ' 15' ' ' GLY . 10.9 m-20 -63.97 -29.43 70.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.491 ' HA ' HD12 ' A' ' 22' ' ' ILE . 33.8 mt-30 -67.19 -49.16 65.65 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 -179.879 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.586 ' HB2' HD11 ' A' ' 109' ' ' LEU . 30.3 tttt -44.0 -56.79 3.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.848 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 8.4 tpt180 -50.78 -53.99 27.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.865 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.491 HD12 ' HA ' ' A' ' 19' ' ' GLN . 84.3 mt -44.53 -47.36 2.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.111 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.502 ' CD1' ' HB3' ' A' ' 116' ' ' PHE . 25.8 m-85 -67.53 -53.05 31.86 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.892 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.407 ' O ' ' ND2' ' A' ' 28' ' ' ASN . 98.1 m -40.91 -53.45 2.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.123 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 21.6 t0 -67.19 -39.39 86.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.828 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 72.6 t90 -55.18 -45.54 75.78 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.939 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.701 ' HB1' HG12 ' A' ' 56' ' ' ILE . . . -71.19 -47.37 57.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.073 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.77 ' OD1' HD22 ' A' ' 39' ' ' LEU . 1.8 m-80 -37.09 -51.92 0.98 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.899 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 9.8 t60 -45.14 -63.69 0.88 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 71.1 m-85 -47.28 -46.78 25.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.889 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.47 HD11 HD21 ' A' ' 52' ' ' LEU . 13.0 mt -56.28 -60.79 2.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.981 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -69.44 -9.42 53.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.08 179.791 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -83.47 -31.88 26.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.87 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.8 t -99.85 27.04 5.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.918 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 57.95 70.81 0.88 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.461 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 8.3 t-80 -116.09 145.86 42.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.852 0.358 . . . . 0.0 110.845 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 5.1 mtpm? -102.86 47.57 0.88 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 25.1 ttt180 -172.35 147.43 1.95 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.77 HD22 ' OD1' ' A' ' 28' ' ' ASN . 17.1 mt -122.65 -178.3 3.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.861 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.856 HG23 ' HB2' ' A' ' 46' ' ' ASP . 96.6 mt -109.06 109.41 28.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.154 179.853 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 75.2 mtt180 -80.01 -64.15 1.25 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.91 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.462 ' O ' ' N ' ' A' ' 45' ' ' GLN . 60.8 m-20 -113.59 102.43 10.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.859 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.512 HD11 ' CE2' ' A' ' 116' ' ' PHE . 12.9 tp -37.06 -47.34 0.73 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.935 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 55.8 mt-30 -57.71 -42.87 84.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.904 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.462 ' N ' ' O ' ' A' ' 42' ' ' ASP . 12.3 mm100 -82.01 -16.76 49.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.927 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.856 ' HB2' HG23 ' A' ' 40' ' ' ILE . 0.2 OUTLIER -80.12 -7.54 58.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.848 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.689 HG12 ' HB2' ' A' ' 53' ' ' LEU . 20.3 m -132.46 34.5 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.07 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.2 p -88.21 -34.35 17.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.149 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.429 ' O ' ' CB ' ' A' ' 81' ' ' ASN . 10.0 m-20 -105.5 -19.23 13.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.875 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 90.32 -27.26 8.69 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.501 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 45.5 t -53.06 -70.51 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.907 0.384 . . . . 0.0 111.149 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.517 ' O ' HD23 ' A' ' 52' ' ' LEU . 1.3 tt -52.72 -36.64 57.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.95 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.689 ' HB2' HG12 ' A' ' 47' ' ' VAL . 1.6 tp -59.17 -50.8 72.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.915 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.13 -40.72 94.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.085 179.788 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.439 ' O ' HG23 ' A' ' 59' ' ' VAL . 21.2 mt-30 -42.5 -30.41 0.34 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.939 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.701 HG12 ' HB1' ' A' ' 27' ' ' ALA . 4.2 mp -88.43 -51.84 11.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.135 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.551 HD11 HD11 ' A' ' 53' ' ' LEU . 24.3 mt -48.1 -56.44 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.132 179.826 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 37.6 mt-30 -48.4 -30.74 5.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.938 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.439 HG23 ' O ' ' A' ' 55' ' ' GLN . 82.9 t -80.01 -68.59 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.093 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 3.5 p -48.52 -24.41 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.142 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -99.22 -21.17 16.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.073 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 15.1 t-20 67.16 35.7 4.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.895 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -137.29 177.99 7.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.908 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 7.0 ttmt -126.61 138.21 53.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.887 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 16.9 mt -101.97 103.23 14.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.15 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -71.6 -14.23 62.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -89.2 36.8 0.83 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.85 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 38.8 mm -114.84 112.2 39.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.115 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 39.2 t30 -48.69 -73.65 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.845 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 128.85 -58.29 0.71 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.503 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 2.1 m -128.76 81.21 71.22 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.627 0.727 . . . . 0.0 110.871 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 107.27 1.81 Allowed 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.705 2.27 . . . . 0.0 112.32 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 30.3 mmtm -96.62 -37.54 10.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.904 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 -79.85 161.86 25.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.884 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 13.9 ttt180 -63.2 -36.93 85.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.91 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.466 ' O ' ' N ' ' A' ' 78' ' ' MET . 58.7 p -82.4 -43.19 17.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 -179.801 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.401 ' C ' ' O ' ' A' ' 76' ' ' SER . 29.2 mt-30 -37.83 -29.37 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.944 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . 0.466 ' N ' ' O ' ' A' ' 76' ' ' SER . 28.5 mtt -73.37 -46.24 50.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.88 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.465 ' N ' ' O ' ' A' ' 76' ' ' SER . 46.6 mm -45.51 -57.3 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.139 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.416 ' O ' ' C ' ' A' ' 81' ' ' ASN . 4.5 mm-40 -42.48 -61.38 1.23 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.897 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.429 ' CB ' ' O ' ' A' ' 49' ' ' ASP . 6.9 m-20 -36.03 -71.04 0.08 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.875 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 15.2 mt -51.54 -37.39 19.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.167 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -58.89 -47.71 84.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.868 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -52.6 -46.88 67.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.095 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . 0.428 ' HB3' ' CD1' ' A' ' 57' ' ' ILE . 68.4 m -58.42 -41.27 84.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 50.7 mt -65.96 -49.71 66.92 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.894 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 69.9 m-80 -65.5 -34.26 77.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.882 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 6.6 t80 -70.11 -37.66 75.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.878 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.411 HD21 HG23 ' A' ' 57' ' ' ILE . 29.1 mt -73.07 -39.88 65.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.971 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -54.12 -45.77 72.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.098 179.769 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -57.5 -22.46 44.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.13 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 20.4 mmtp -84.87 -19.37 32.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 114.66 35.64 1.38 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.453 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.444 HD11 ' CB ' ' A' ' 122' ' ' TYR . 58.0 mt . . . . . 0 C--N 1.329 -0.313 0 CA-C-O 120.843 0.354 . . . . 0.0 111.086 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.544 -0.222 . . . . 0.0 112.544 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 44.8 mt -66.66 179.84 0.99 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.856 0.36 . . . . 0.0 110.938 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 16.3 m -157.4 113.16 2.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.845 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -49.06 -50.01 38.71 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.083 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -49.25 -53.89 19.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.856 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -56.08 -44.42 78.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.866 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.598 HG22 ' O ' ' A' ' 47' ' ' VAL . 39.6 mt -58.87 -42.06 84.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.133 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 20.2 ttt-85 -64.73 -29.03 70.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.898 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 -77.04 -22.1 53.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 94.94 20.18 29.14 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.501 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . 0.838 ' O ' HD12 ' A' ' 112' ' ' ILE . 14.9 t-20 -67.17 108.26 2.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.873 0.368 . . . . 0.0 110.892 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.586 HD11 ' HB2' ' A' ' 20' ' ' LYS . 9.7 tp -47.31 -57.48 5.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.894 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . 0.713 ' HE2' HD11 ' A' ' 16' ' ' LEU . 21.3 mmtt -45.38 -28.54 0.88 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.879 179.859 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -82.22 -61.55 1.87 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.109 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.838 HD12 ' O ' ' A' ' 108' ' ' ASN . 5.1 mp -49.71 -54.36 7.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.124 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.42 ' O ' ' CB ' ' A' ' 117' ' ' PHE . 71.4 mt -46.86 -39.58 12.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -62.39 -38.61 96.56 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.472 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.996 HD23 ' N ' ' A' ' 116' ' ' PHE . 0.2 OUTLIER -67.4 -58.96 3.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.859 0.361 . . . . 0.0 110.937 -179.899 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.996 ' N ' HD23 ' A' ' 115' ' ' LEU . 10.6 m-85 -65.43 -16.83 64.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . 0.42 ' CB ' ' O ' ' A' ' 113' ' ' LEU . 1.8 t80 -72.72 -35.73 67.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.89 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 41.5 p -94.38 -47.14 6.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.863 -179.804 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 9.2 tp -46.2 -49.71 16.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.925 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 9.1 t -53.95 -44.68 70.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 46.4 mtp85 -55.45 -50.2 70.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.857 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' TYR . . . . . 0.444 ' CB ' HD11 ' A' ' 94' ' ' ILE . 3.2 t80 -42.26 -36.55 1.26 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.907 -179.866 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . 0.433 ' O ' ' C ' ' A' ' 124' ' ' GLN . 19.1 tptt -85.29 -50.8 7.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.939 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' GLN . . . . . 0.433 ' C ' ' O ' ' A' ' 123' ' ' LYS . 32.9 mm-40 . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.885 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.439 ' O ' ' C ' ' A' ' 16' ' ' LEU . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.443 -0.263 . . . . 0.0 112.443 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.439 ' C ' ' O ' ' A' ' 15' ' ' GLY . 53.6 mt -35.4 -59.0 0.56 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.817 0.342 . . . . 0.0 110.931 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -53.2 -46.35 68.99 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.903 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -59.68 -41.72 91.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.857 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.64 ' HA ' HD12 ' A' ' 22' ' ' ILE . 86.0 mt-30 -52.63 -51.85 58.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.926 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.414 ' N ' HD21 ' A' ' 113' ' ' LEU . 41.1 tttt -38.36 -55.27 1.38 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.941 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.4 tpp180 -54.05 -52.07 62.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.87 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.64 HD12 ' HA ' ' A' ' 19' ' ' GLN . 85.0 mt -45.15 -44.47 3.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.074 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 31.2 m-85 -71.92 -50.65 27.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.937 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.428 ' O ' ' ND2' ' A' ' 28' ' ' ASN . 98.0 m -40.71 -52.22 2.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.176 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -61.59 -39.93 92.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.858 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 75.1 t90 -60.08 -47.69 84.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.931 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.572 ' HB1' HG12 ' A' ' 56' ' ' ILE . . . -70.73 -41.13 72.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.076 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.428 ' ND2' ' O ' ' A' ' 24' ' ' THR . 1.8 m-80 -48.19 -52.69 19.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 8.0 t60 -43.08 -52.5 5.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.882 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 91.1 m-85 -60.74 -30.2 69.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.945 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.579 HD11 HD21 ' A' ' 52' ' ' LEU . 10.9 mt -74.92 -41.29 59.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.906 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -70.56 -45.58 65.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.095 179.789 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 4.3 ptmm? -59.88 -34.68 73.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.929 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.3 t -88.86 31.57 0.85 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.832 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 47.18 70.66 0.66 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.507 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.47 ' CB ' ' O ' ' A' ' 31' ' ' LEU . 3.9 t-80 -131.11 95.72 3.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.872 0.368 . . . . 0.0 110.868 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 45.1 mttp -48.9 -54.14 16.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.932 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.478 ' HG2' ' N ' ' A' ' 39' ' ' LEU . 23.5 ttm180 -64.92 148.66 51.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.867 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.478 ' N ' ' HG2' ' A' ' 38' ' ' ARG . 83.0 mt -129.36 -175.16 3.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.917 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.771 HG23 ' CG ' ' A' ' 46' ' ' ASP . 97.3 mt -98.99 113.22 33.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.148 179.833 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 28.0 mtp180 -88.14 -60.56 1.93 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.846 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.45 ' N ' ' OD1' ' A' ' 46' ' ' ASP . 28.5 m-20 -115.15 98.45 6.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.921 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.592 HD11 ' CE2' ' A' ' 116' ' ' PHE . 12.0 tp -46.91 -33.4 4.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.671 ' NE2' HD13 ' A' ' 109' ' ' LEU . 24.6 mt-30 -70.02 -41.3 74.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.89 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 18.6 mt-30 -100.38 14.1 32.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.771 ' CG ' HG23 ' A' ' 40' ' ' ILE . 0.9 OUTLIER -102.74 -35.98 8.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 179.947 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.413 ' O ' HG22 ' A' ' 104' ' ' ILE . 23.0 m -102.91 34.91 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.092 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 34.9 p -84.48 -36.84 21.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.12 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.474 ' O ' ' CB ' ' A' ' 81' ' ' ASN . 0.4 OUTLIER -97.37 -20.37 17.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.851 179.88 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 89.04 -28.99 6.19 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.482 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 84.8 t -46.76 -64.59 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.829 0.347 . . . . 0.0 111.119 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.579 HD21 HD11 ' A' ' 31' ' ' LEU . 2.4 tt -57.14 -39.03 74.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.783 HD11 HD11 ' A' ' 57' ' ' ILE . 5.4 tp -53.92 -54.95 31.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -54.29 -44.9 72.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.084 179.802 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.482 ' NE2' ' HG ' ' A' ' 52' ' ' LEU . 28.1 mt-30 -39.39 -37.0 0.41 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.909 -179.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.572 HG12 ' HB1' ' A' ' 27' ' ' ALA . 5.1 mp -85.01 -47.21 17.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.13 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.783 HD11 HD11 ' A' ' 53' ' ' LEU . 62.0 mt -53.99 -58.92 2.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.143 179.808 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -47.99 -31.35 5.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.906 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 41.5 t -78.58 -67.39 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.076 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.471 HG12 ' O ' ' A' ' 56' ' ' ILE . 7.1 p -53.51 -23.26 7.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.199 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -99.94 -12.53 19.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.141 179.831 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 9.5 m-80 56.09 41.51 29.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.912 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -145.4 162.37 37.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.1 tppt? -111.75 136.14 51.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.858 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.463 ' HB ' ' CG1' ' A' ' 68' ' ' ILE . 18.8 mt -99.2 110.75 27.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.134 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -74.77 -28.5 60.77 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.888 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.415 ' O ' ' HB2' ' A' ' 84' ' ' ALA . 1.7 m-20 -79.49 43.57 0.56 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.878 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.463 ' CG1' ' HB ' ' A' ' 65' ' ' ILE . 36.5 mm -116.44 134.17 60.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.114 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.4 ' ND2' ' H ' ' A' ' 71' ' ' CYS . 3.5 t30 -123.44 100.31 6.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -80.76 37.44 2.3 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.494 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . 0.4 ' H ' ' ND2' ' A' ' 69' ' ' ASN . 3.3 t -134.94 57.39 21.15 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.585 0.707 . . . . 0.0 110.884 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.85 80.13 0.93 Allowed 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.676 2.251 . . . . 0.0 112.263 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 8.2 mmtp -87.82 -47.3 8.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.952 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -99.51 149.23 23.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 9.8 ptt-85 -47.49 -25.79 1.2 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.87 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.451 ' O ' ' N ' ' A' ' 79' ' ' ILE . 4.5 m -80.6 -48.66 12.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.89 -179.784 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.433 ' C ' ' O ' ' A' ' 76' ' ' SER . 10.5 mm100 -35.53 -55.03 0.68 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.919 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 17.1 mtt -50.6 -43.74 56.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.875 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.451 ' N ' ' O ' ' A' ' 76' ' ' SER . 48.4 mm -41.58 -64.2 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.155 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.428 ' O ' ' C ' ' A' ' 81' ' ' ASN . 8.4 mp0 -42.3 -61.02 1.28 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.474 ' CB ' ' O ' ' A' ' 49' ' ' ASP . 54.4 m-20 -35.83 -64.4 0.31 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.883 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 22.7 mt -58.83 -40.71 80.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.116 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -52.62 -55.25 23.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.854 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.415 ' HB2' ' O ' ' A' ' 67' ' ' ASP . . . -47.55 -42.34 23.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.076 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 60.9 m -63.39 -49.06 75.27 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.907 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 61.6 mt -55.12 -48.49 73.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.941 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 66.9 m-80 -69.15 -42.16 76.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.42 ' CD1' ' C ' ' A' ' 88' ' ' PHE . 1.9 t80 -58.62 -48.07 82.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.426 HD22 ' CD1' ' A' ' 94' ' ' ILE . 95.9 mt -59.16 -49.55 77.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.933 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -47.31 -41.99 20.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.124 179.801 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -63.75 -36.25 83.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.126 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 52.8 mmtt -69.81 -28.5 65.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 123.15 39.67 0.51 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.509 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.486 HD11 ' HB2' ' A' ' 122' ' ' TYR . 73.8 mt . . . . . 0 C--N 1.329 -0.295 0 CA-C-O 120.796 0.332 . . . . 0.0 111.153 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 90.4 mt -62.87 176.84 0.63 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.783 0.325 . . . . 0.0 110.918 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 16.7 m -150.73 106.57 3.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.843 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -46.12 -43.05 14.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.131 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -60.07 -55.35 35.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.877 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -50.77 -40.83 55.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.873 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.413 HG22 ' O ' ' A' ' 47' ' ' VAL . 82.6 mt -65.89 -41.08 89.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.164 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 12.2 ttt-85 -62.09 -36.35 81.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.91 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 80.9 m-20 -70.74 -26.49 63.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.922 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 97.25 34.13 5.72 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.441 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . 0.781 ' O ' HD12 ' A' ' 112' ' ' ILE . 53.3 t30 -78.6 108.33 11.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.866 0.365 . . . . 0.0 110.89 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.671 HD13 ' NE2' ' A' ' 44' ' ' GLN . 9.4 tp -40.8 -52.69 2.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.935 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 14.5 mmtm -47.39 -42.24 21.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.879 179.814 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -70.47 -61.73 1.66 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.113 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.781 HD12 ' O ' ' A' ' 108' ' ' ASN . 5.3 mp -48.58 -63.65 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.175 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.473 ' CD1' ' HG ' ' A' ' 109' ' ' LEU . 67.9 mt -41.19 -41.5 1.83 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.943 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -63.05 -52.01 51.02 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.492 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.716 HD23 ' N ' ' A' ' 116' ' ' PHE . 0.1 OUTLIER -50.78 -51.88 46.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.913 0.387 . . . . 0.0 110.921 -179.953 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.716 ' N ' HD23 ' A' ' 115' ' ' LEU . 9.2 m-85 -73.15 -32.34 64.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.918 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . 0.482 ' CD1' ' C ' ' A' ' 117' ' ' PHE . 3.3 t80 -61.26 -33.76 74.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.888 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 25.5 m -94.64 -50.89 4.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.796 -179.731 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.4 ' O ' ' HB3' ' A' ' 122' ' ' TYR . 13.5 tp -41.35 -58.32 1.89 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.943 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 43.6 t -40.41 -48.28 2.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.846 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 55.5 mtp180 -40.87 -46.62 2.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.853 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' TYR . . . . . 0.486 ' HB2' HD11 ' A' ' 94' ' ' ILE . 23.4 t80 -43.62 -48.74 7.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.904 -179.85 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . 0.434 ' O ' ' C ' ' A' ' 124' ' ' GLN . 14.1 tptp -83.82 -53.03 5.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.893 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' GLN . . . . . 0.434 ' C ' ' O ' ' A' ' 123' ' ' LYS . 18.5 mm100 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.909 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.435 ' O ' ' C ' ' A' ' 16' ' ' LEU . . . . . . . . 0 N--CA 1.452 -0.285 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.464 HD11 ' NZ ' ' A' ' 110' ' ' LYS . 55.3 mt -35.57 -56.81 0.65 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.788 0.328 . . . . 0.0 110.899 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -55.36 -45.15 76.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -58.14 -36.92 73.67 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.866 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.574 ' HA ' HD12 ' A' ' 22' ' ' ILE . 62.8 mt-30 -59.93 -46.0 90.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.92 -179.887 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.674 ' HB2' HD11 ' A' ' 109' ' ' LEU . 42.6 tttt -42.55 -45.35 4.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.923 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 24.7 ttp180 -66.33 -54.42 24.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.893 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.574 HD12 ' HA ' ' A' ' 19' ' ' GLN . 95.2 mt -39.05 -52.91 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.097 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.45 ' CD1' ' HB3' ' A' ' 116' ' ' PHE . 38.4 m-85 -64.06 -49.34 72.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.912 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 98.5 m -43.31 -60.86 1.53 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.118 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.406 ' OD1' ' C ' ' A' ' 25' ' ' ASP . 20.2 t0 -52.9 -45.84 67.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.823 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 68.1 t90 -53.17 -51.36 62.3 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.874 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.637 ' HB1' HG12 ' A' ' 56' ' ' ILE . . . -64.02 -45.21 89.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.062 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.938 ' OD1' HD22 ' A' ' 39' ' ' LEU . 2.1 m-80 -42.92 -54.26 4.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.866 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.427 ' CE1' ' HD3' ' A' ' 33' ' ' LYS . 0.1 OUTLIER -41.58 -52.08 3.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.832 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.735 ' CE2' HG23 ' A' ' 60' ' ' VAL . 97.5 m-85 -57.81 -32.58 67.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 -179.829 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.628 HD11 HD21 ' A' ' 52' ' ' LEU . 18.0 mt -75.77 -54.16 7.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.956 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.19 -37.73 78.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.089 179.781 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.427 ' HD3' ' CE1' ' A' ' 29' ' ' HIS . 27.6 pttt -71.05 -31.26 67.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.907 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 4.6 t -85.85 -2.13 57.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.892 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 83.78 69.11 1.39 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.502 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 4.1 m-70 -128.13 137.91 52.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.874 0.368 . . . . 0.0 110.824 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 27.1 mtpp -93.99 -26.75 16.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 15.0 ttm180 -94.35 117.25 29.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.833 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.938 HD22 ' OD1' ' A' ' 28' ' ' ASN . 62.0 mt -93.39 176.51 6.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.891 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.801 HG23 ' CB ' ' A' ' 46' ' ' ASP . 83.7 mt -92.77 95.46 5.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.122 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 76.4 mtm180 -69.29 -61.97 1.57 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.869 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.463 ' O ' ' N ' ' A' ' 45' ' ' GLN . 0.5 OUTLIER -114.99 99.74 7.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.844 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.493 HD11 ' CE2' ' A' ' 116' ' ' PHE . 15.8 tp -33.75 -59.44 0.4 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.925 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 1.011 ' O ' HG23 ' A' ' 48' ' ' THR . 58.2 mt-30 -48.01 -44.35 30.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.923 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.463 ' N ' ' O ' ' A' ' 42' ' ' ASP . 11.9 mm100 -77.52 -20.43 54.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.939 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.801 ' CB ' HG23 ' A' ' 40' ' ' ILE . 0.2 OUTLIER -81.65 -6.17 58.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.823 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 26.0 m -124.33 -22.26 2.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.135 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 1.011 HG23 ' O ' ' A' ' 44' ' ' GLN . 15.0 p -48.34 -44.86 34.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.146 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -81.6 -29.97 33.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.898 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 87.36 -27.82 6.07 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.487 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 60.1 t -56.55 -65.63 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.845 0.355 . . . . 0.0 111.145 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.628 HD21 HD11 ' A' ' 31' ' ' LEU . 1.5 tt -57.63 -35.8 70.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.92 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.593 HD12 ' O ' ' A' ' 53' ' ' LEU . 1.2 tp -56.82 -53.74 54.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.91 179.866 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -58.89 -43.01 90.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.133 179.776 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.642 ' O ' HG23 ' A' ' 59' ' ' VAL . 16.6 mt-30 -40.15 -37.15 0.58 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.891 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.637 HG12 ' HB1' ' A' ' 27' ' ' ALA . 3.2 mp -80.09 -52.98 13.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.183 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.619 ' CG2' ' CE1' ' A' ' 88' ' ' PHE . 55.8 mt -47.71 -49.0 10.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.109 179.813 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -56.56 -38.24 71.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.905 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.642 HG23 ' O ' ' A' ' 55' ' ' GLN . 58.0 t -73.34 -67.26 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.122 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.735 HG23 ' CE2' ' A' ' 30' ' ' TYR . 14.7 p -52.09 -30.37 12.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.102 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.532 ' HB3' ' O ' ' A' ' 57' ' ' ILE . . . -92.97 -16.64 24.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.085 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 59.4 m-20 61.41 39.53 15.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.881 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -141.85 164.36 30.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.927 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 6.6 ptmt -112.98 137.99 50.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.872 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.454 ' HB ' ' CG1' ' A' ' 68' ' ' ILE . 12.8 mt -107.36 108.93 26.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.131 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -74.33 -16.52 60.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.894 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.422 ' HB3' ' HB2' ' A' ' 84' ' ' ALA . 8.5 m-20 -87.0 34.75 0.68 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.867 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.454 ' CG1' ' HB ' ' A' ' 65' ' ' ILE . 31.1 mm -115.92 146.66 20.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.095 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.447 ' O ' ' C ' ' A' ' 70' ' ' GLY . 19.5 t30 -107.26 107.08 17.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.915 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . 0.447 ' C ' ' O ' ' A' ' 69' ' ' ASN . . . -34.26 -58.39 0.67 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.484 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 43.3 t -139.72 118.19 8.72 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.589 0.709 . . . . 0.0 110.876 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 127.46 14.63 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.667 2.245 . . . . 0.0 112.312 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 35.9 mttt -103.66 -35.26 8.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -102.22 155.97 17.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.849 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.405 ' C ' ' HD3' ' A' ' 75' ' ' ARG . 0.2 OUTLIER -58.97 -28.19 66.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.873 -179.949 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.497 ' O ' ' N ' ' A' ' 78' ' ' MET . 4.0 m -88.75 -40.92 12.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.818 -179.754 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 11.9 mm-40 -37.77 -27.75 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.907 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . 0.497 ' N ' ' O ' ' A' ' 76' ' ' SER . 9.5 mtt -70.04 -46.62 64.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.857 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.461 ' N ' ' O ' ' A' ' 76' ' ' SER . 26.0 mm -41.33 -53.71 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.132 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -49.46 -45.5 46.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.871 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -50.09 -65.88 0.49 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.919 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 33.4 mt -57.42 -43.81 83.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.105 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -51.58 -55.69 17.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.862 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.422 ' HB2' ' HB3' ' A' ' 67' ' ' ASP . . . -48.71 -44.74 38.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.105 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . 0.435 ' HB3' ' CD1' ' A' ' 57' ' ' ILE . 60.2 m -61.06 -49.11 78.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.876 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 41.9 mt -56.01 -49.69 72.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.92 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 69.2 m-80 -67.35 -36.35 81.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.923 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.619 ' CE1' ' CG2' ' A' ' 57' ' ' ILE . 0.4 OUTLIER -64.01 -39.21 93.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 88.2 mt -67.29 -43.84 80.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.948 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -57.04 -38.7 73.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.12 179.773 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -65.77 -32.48 74.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.11 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 61.5 mmtt -73.09 -23.43 60.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 117.1 39.24 0.82 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.506 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.631 HD11 ' HB2' ' A' ' 122' ' ' TYR . 71.3 mt . . . . . 0 C--N 1.328 -0.333 0 CA-C-O 120.858 0.361 . . . . 0.0 111.165 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 72.4 mt -68.49 172.04 6.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.811 0.338 . . . . 0.0 110.908 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 5.9 m -149.87 111.13 4.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -46.5 -40.18 12.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.106 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -63.14 -53.91 46.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.856 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 53.9 mm-40 -50.7 -43.82 57.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 66.0 mt -60.36 -44.84 96.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.112 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.465 ' O ' HG22 ' A' ' 48' ' ' THR . 0.8 OUTLIER -53.51 -42.12 67.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.882 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 16.1 m-80 -64.48 -29.09 70.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.866 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . 0.473 ' O ' ' NE2' ' A' ' 44' ' ' GLN . . . 99.13 26.13 9.06 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.524 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . 0.745 ' O ' HD12 ' A' ' 112' ' ' ILE . 14.2 t30 -70.33 99.48 1.56 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.853 0.359 . . . . 0.0 110.882 -179.876 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.674 HD11 ' HB2' ' A' ' 20' ' ' LYS . 9.4 tp -36.02 -60.36 0.55 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.895 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . 0.464 ' NZ ' HD11 ' A' ' 16' ' ' LEU . 12.8 mmtm -39.85 -46.92 2.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 179.852 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -64.63 -63.56 1.09 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.08 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.745 HD12 ' O ' ' A' ' 108' ' ' ASN . 5.4 mp -48.41 -65.33 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.132 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.483 HD11 ' HG ' ' A' ' 109' ' ' LEU . 96.5 mt -35.78 -39.77 0.16 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -61.43 -51.53 57.28 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.485 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.987 HD23 ' N ' ' A' ' 116' ' ' PHE . 0.2 OUTLIER -50.77 -59.71 3.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.852 0.358 . . . . 0.0 110.927 -179.91 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.987 ' N ' HD23 ' A' ' 115' ' ' LEU . 11.0 m-85 -63.72 -32.78 74.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.886 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 21.8 t80 -57.66 -36.91 72.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.885 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 4.0 m -92.54 -52.0 4.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.864 -179.785 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 6.7 tp -41.71 -50.8 4.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.934 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 34.6 p -49.37 -44.08 44.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.863 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 66.3 mtp180 -48.38 -52.09 23.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.9 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' TYR . . . . . 0.631 ' HB2' HD11 ' A' ' 94' ' ' ILE . 25.8 t80 -40.2 -55.42 2.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.953 -179.867 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . 0.407 ' O ' ' C ' ' A' ' 124' ' ' GLN . 23.8 tptt -70.3 -49.04 53.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.9 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' GLN . . . . . 0.407 ' C ' ' O ' ' A' ' 123' ' ' LYS . 74.2 mt-30 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.905 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.482 ' N ' ' HB2' ' A' ' 18' ' ' ASP . . . . . . . . 0 N--CA 1.451 -0.342 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.692 HD11 ' NZ ' ' A' ' 110' ' ' LYS . 17.4 mt -42.27 -51.32 4.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.762 0.315 . . . . 0.0 110.922 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -65.94 -40.7 91.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.918 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.482 ' HB2' ' N ' ' A' ' 15' ' ' GLY . 24.0 m-20 -60.22 -39.1 85.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.876 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 -58.7 -40.84 84.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.895 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.56 ' HB2' HD11 ' A' ' 109' ' ' LEU . 47.2 tttt -48.87 -33.43 10.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.906 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.459 ' HB2' ' CZ ' ' A' ' 21' ' ' ARG . 0.4 OUTLIER -75.63 -47.56 25.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.854 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 94.1 mt -48.4 -51.04 11.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.119 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.579 ' CD1' ' HB3' ' A' ' 116' ' ' PHE . 34.6 m-85 -68.34 -47.52 67.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.948 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.468 ' O ' ' ND2' ' A' ' 28' ' ' ASN . 26.3 m -43.77 -51.57 7.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.104 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -66.74 -39.56 87.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.895 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 66.0 t90 -53.82 -49.53 68.17 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.852 ' HB1' HG12 ' A' ' 56' ' ' ILE . . . -69.35 -39.19 78.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.114 179.872 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.931 ' OD1' HD22 ' A' ' 39' ' ' LEU . 1.8 m-80 -48.85 -33.22 10.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.903 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 17.2 t60 -63.75 -45.06 91.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.845 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.427 ' HA ' ' CD ' ' A' ' 33' ' ' LYS . 92.8 m-85 -69.5 -16.1 63.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.931 -179.882 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 34.5 mt -89.81 -51.36 5.54 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.901 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.73 -23.55 67.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.143 179.735 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.427 ' CD ' ' HA ' ' A' ' 30' ' ' TYR . 9.9 ptmm? -78.44 -35.92 46.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.864 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.7 m -82.9 2.07 36.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.865 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 80.94 66.21 1.64 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.493 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 4.6 m-70 -119.37 141.22 49.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.869 0.366 . . . . 0.0 110.852 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 43.3 mttm -95.24 -25.19 16.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.869 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.431 ' HB3' ' NH1' ' A' ' 38' ' ' ARG . 17.2 ttm105 -95.78 140.94 29.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.866 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.931 HD22 ' OD1' ' A' ' 28' ' ' ASN . 28.4 mt -115.23 -179.84 3.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.943 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.846 HG23 ' CG ' ' A' ' 46' ' ' ASP . 62.2 mt -99.34 115.14 39.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.159 179.821 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 8.3 mmp_? -95.3 -56.42 2.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.858 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.495 ' N ' ' OD2' ' A' ' 46' ' ' ASP . 0.5 OUTLIER -111.65 98.87 7.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.857 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.583 HD11 ' CE2' ' A' ' 116' ' ' PHE . 13.0 tp -51.76 -27.28 11.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 44.2 mt-30 -74.45 -40.46 61.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.934 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 17.9 mt-30 -100.86 7.32 43.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.942 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.846 ' CG ' HG23 ' A' ' 40' ' ' ILE . 2.1 m-20 -97.54 -3.4 39.82 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.67 HG12 ' HB2' ' A' ' 53' ' ' LEU . 35.1 m -130.43 0.73 2.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.15 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.579 HG22 ' O ' ' A' ' 105' ' ' ARG . 1.1 p -58.32 -40.82 83.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.106 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.87 ' OD1' HG23 ' A' ' 51' ' ' VAL . 15.6 t0 -85.09 -29.1 25.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.885 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 86.62 -11.0 65.2 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.499 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.87 HG23 ' OD1' ' A' ' 49' ' ' ASP . 54.5 t -69.14 -67.54 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.857 0.361 . . . . 0.0 111.148 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.612 ' O ' HD23 ' A' ' 52' ' ' LEU . 1.7 tt -55.99 -29.03 59.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.954 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.67 ' HB2' HG12 ' A' ' 47' ' ' VAL . 1.1 tp -64.79 -61.99 1.85 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.931 179.85 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -50.16 -38.1 37.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.077 179.786 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.672 ' O ' HG23 ' A' ' 59' ' ' VAL . 10.5 mt-30 -43.17 -36.03 1.58 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.884 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.852 HG12 ' HB1' ' A' ' 27' ' ' ALA . 4.5 mp -81.76 -53.53 11.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.123 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 30.6 mt -46.87 -58.4 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.092 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.405 ' CB ' ' O ' ' A' ' 63' ' ' GLU . 33.0 mt-30 -48.08 -24.87 1.22 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.898 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.672 HG23 ' O ' ' A' ' 55' ' ' GLN . 42.1 t -85.9 -65.0 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.152 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 6.8 p -54.95 -19.36 4.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.125 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.604 ' HB1' ' HE3' ' A' ' 92' ' ' LYS . . . -111.43 -3.82 15.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.08 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 45.4 t30 47.6 44.89 17.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.882 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.405 ' O ' ' CB ' ' A' ' 58' ' ' GLN . 5.0 tp10 -140.53 168.58 19.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.876 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 9.4 ttmm -118.65 139.34 51.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.906 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.469 ' CG2' HG12 ' A' ' 68' ' ' ILE . 32.9 mt -102.8 96.44 4.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.103 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -70.33 -7.25 41.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.87 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.438 ' O ' ' HB2' ' A' ' 84' ' ' ALA . 0.9 OUTLIER -95.21 30.33 2.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.875 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.469 HG12 ' CG2' ' A' ' 65' ' ' ILE . 30.8 mm -111.73 136.18 48.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.155 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 41.6 t30 -73.25 -72.74 0.24 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 121.48 -50.93 0.81 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.499 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 17.8 m -132.32 78.59 67.88 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.601 0.715 . . . . 0.0 110.859 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.454 ' CG ' ' OD2' ' A' ' 49' ' ' ASP . 54.2 Cg_endo -69.76 132.31 23.07 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.653 2.236 . . . . 0.0 112.367 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.409 ' C ' ' HD3' ' A' ' 73' ' ' LYS . 0.0 OUTLIER -121.62 -35.58 3.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.877 179.933 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.415 ' HB3' ' CG ' ' A' ' 77' ' ' GLN . 27.7 t-20 -78.98 167.07 21.63 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.891 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 13.4 tpp180 -68.27 -45.73 72.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.893 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.403 ' O ' ' N ' ' A' ' 79' ' ' ILE . 5.6 m -79.6 -33.3 41.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.897 -179.84 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.415 ' CG ' ' HB3' ' A' ' 74' ' ' ASN . 26.7 mm-40 -38.01 -46.47 1.0 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.945 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 12.6 mtt -59.82 -45.3 92.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.869 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.403 ' N ' ' O ' ' A' ' 76' ' ' SER . 37.2 mm -42.52 -55.65 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.113 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 33.4 mm-40 -49.96 -55.86 12.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -38.29 -67.05 0.22 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.898 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 20.4 mt -57.17 -37.68 57.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.115 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -54.95 -49.94 70.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.861 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.438 ' HB2' ' O ' ' A' ' 67' ' ' ASP . . . -52.09 -39.11 59.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.064 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 59.3 m -67.5 -45.24 76.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.86 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 56.4 mt -60.5 -48.13 83.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.927 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 70.2 m-80 -65.91 -34.49 78.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.854 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.469 ' CZ ' ' HE2' ' A' ' 92' ' ' LYS . 3.2 t80 -65.97 -51.7 56.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.875 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 93.6 mt -53.61 -38.49 64.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.907 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -61.92 -35.15 77.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.133 179.764 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -68.68 -32.5 72.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.101 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.604 ' HE3' ' HB1' ' A' ' 61' ' ' ALA . 42.5 mmtt -70.51 -24.28 62.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.878 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 117.9 37.05 0.91 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.504 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.793 HD11 ' HB2' ' A' ' 122' ' ' TYR . 66.1 mt . . . . . 0 C--N 1.329 -0.292 0 CA-C-O 120.786 0.327 . . . . 0.0 111.17 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 26.8 mt -63.89 179.26 0.53 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.859 0.362 . . . . 0.0 110.93 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 10.5 m -158.22 108.47 2.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -43.56 -42.83 5.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.111 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -57.82 -51.29 70.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.94 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -55.92 -48.22 76.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.89 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 47.5 mt -58.84 -43.83 89.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.142 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.579 ' O ' HG22 ' A' ' 48' ' ' THR . 5.8 ttt-85 -61.66 -30.07 70.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.874 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -72.98 -26.96 61.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.901 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 97.16 31.34 6.94 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.495 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . 0.545 ' O ' HD12 ' A' ' 112' ' ' ILE . 51.4 t-20 -81.6 114.64 20.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.869 0.366 . . . . 0.0 110.884 -179.878 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.56 HD11 ' HB2' ' A' ' 20' ' ' LYS . 8.9 tp -50.83 -39.8 54.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.937 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . 0.692 ' NZ ' HD11 ' A' ' 16' ' ' LEU . 15.9 mmtm -59.1 -26.12 64.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.866 179.838 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -86.83 -60.63 1.93 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.066 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.6 ' H ' HD12 ' A' ' 112' ' ' ILE . 4.5 mp -50.89 -55.13 7.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.122 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.474 ' CD1' ' HG ' ' A' ' 109' ' ' LEU . 71.8 mt -47.55 -42.38 23.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.947 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -60.6 -41.5 98.85 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.484 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.967 HD23 ' N ' ' A' ' 116' ' ' PHE . 0.1 OUTLIER -62.43 -57.17 12.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.863 0.363 . . . . 0.0 110.902 -179.947 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.967 ' N ' HD23 ' A' ' 115' ' ' LEU . 10.9 m-85 -66.3 -17.28 64.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.869 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . 0.482 ' CD1' ' C ' ' A' ' 117' ' ' PHE . 3.6 t80 -75.82 -36.96 59.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.877 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 16.4 m -92.76 -39.48 11.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.829 -179.777 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.536 ' O ' HD12 ' A' ' 119' ' ' LEU . 2.0 tp -54.03 -55.28 28.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.919 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.4 t -46.49 -44.48 17.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.856 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 33.5 mtp85 -46.85 -51.07 17.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.905 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' TYR . . . . . 0.793 ' HB2' HD11 ' A' ' 94' ' ' ILE . 12.3 t80 -39.54 -54.55 1.96 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 -179.828 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . 0.44 ' O ' ' C ' ' A' ' 124' ' ' GLN . 13.5 tptp -75.49 -54.59 6.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.874 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' GLN . . . . . 0.44 ' C ' ' O ' ' A' ' 123' ' ' LYS . 51.1 mm-40 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.941 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.421 ' O ' ' C ' ' A' ' 16' ' ' LEU . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.47 ' O ' HD11 ' A' ' 113' ' ' LEU . 23.5 mt -35.98 -59.29 0.61 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.768 0.318 . . . . 0.0 110.908 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.422 ' HA ' HD21 ' A' ' 109' ' ' LEU . 2.0 pm0 -61.1 -38.71 87.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.922 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.407 ' N ' ' O ' ' A' ' 15' ' ' GLY . 70.0 m-20 -65.8 -25.57 67.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.85 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 22.6 mt-30 -69.31 -40.57 77.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.912 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 17.0 ttmt -46.39 -56.35 6.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.917 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 13.6 ttm180 -54.87 -52.71 61.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.845 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 74.1 mt -44.86 -48.47 2.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.125 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.537 ' CG ' ' HB3' ' A' ' 116' ' ' PHE . 25.3 m-85 -68.88 -45.47 70.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.923 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.455 ' CG2' ' O ' ' A' ' 40' ' ' ILE . 66.8 m -46.65 -56.53 5.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.137 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -59.03 -38.52 79.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.877 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . 0.405 ' CZ2' ' HA ' ' A' ' 120' ' ' SER . 72.9 t90 -58.05 -53.15 61.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.902 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.59 ' HB2' ' HE1' ' A' ' 116' ' ' PHE . . . -67.53 -37.62 83.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.139 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.439 ' CB ' HD22 ' A' ' 39' ' ' LEU . 1.0 OUTLIER -46.71 -41.08 14.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 -179.954 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.42 ' CE1' ' HB3' ' A' ' 33' ' ' LYS . 0.4 OUTLIER -57.18 -64.53 0.85 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.828 179.965 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 95.0 m-85 -45.31 -33.42 2.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.95 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.645 HD22 ' CD2' ' A' ' 36' ' ' HIS . 15.8 mt -72.48 -47.51 48.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.943 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -65.8 -53.44 40.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.072 179.803 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.422 ' HE3' ' CG1' ' A' ' 59' ' ' VAL . 10.1 pttp -52.47 -33.47 44.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.431 ' O ' ' C ' ' A' ' 35' ' ' GLY . 4.5 t -92.83 31.68 1.36 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.864 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.431 ' C ' ' O ' ' A' ' 34' ' ' SER . . . 35.6 60.45 0.78 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.496 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.645 ' CD2' HD22 ' A' ' 31' ' ' LEU . 20.3 t60 -90.42 -18.22 25.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.851 0.358 . . . . 0.0 110.85 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 33.0 mmtt 54.64 39.42 31.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.562 ' HB3' ' CD2' ' A' ' 36' ' ' HIS . 11.0 ttt85 -170.03 153.85 4.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.898 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.439 HD22 ' CB ' ' A' ' 28' ' ' ASN . 61.9 mt -130.8 170.06 14.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.899 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.659 HG23 ' HB2' ' A' ' 46' ' ' ASP . 66.6 mt -95.61 109.55 22.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.157 179.864 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 7.4 ttm180 -77.72 -61.08 2.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.878 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.429 ' OD1' ' N ' ' A' ' 42' ' ' ASP . 0.3 OUTLIER -114.88 113.5 24.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.91 179.935 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.943 HD11 ' CE2' ' A' ' 116' ' ' PHE . 11.1 tp -60.14 -36.93 78.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 64.1 mt-30 -70.58 -15.62 62.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.918 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.469 ' HA ' HG23 ' A' ' 48' ' ' THR . 4.2 mm100 -116.18 -6.21 11.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.659 ' HB2' HG23 ' A' ' 40' ' ' ILE . 0.4 OUTLIER -84.37 -34.82 23.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.828 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.677 HG12 ' HB2' ' A' ' 53' ' ' LEU . 26.6 m -103.47 33.33 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.125 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.469 HG23 ' HA ' ' A' ' 45' ' ' GLN . 18.0 p -86.03 -35.09 20.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.143 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -104.22 -14.56 15.79 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.853 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 79.53 -14.38 17.78 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.513 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 98.2 t -61.44 -70.37 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.865 0.364 . . . . 0.0 111.074 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.489 ' O ' HD23 ' A' ' 52' ' ' LEU . 2.4 tt -54.88 -36.41 65.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.677 ' HB2' HG12 ' A' ' 47' ' ' VAL . 2.1 tp -55.79 -55.84 27.66 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.89 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.416 ' O ' ' C ' ' A' ' 55' ' ' GLN . . . -54.68 -47.26 73.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.075 179.829 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.497 HE22 ' CE1' ' A' ' 36' ' ' HIS . 27.0 mt-30 -36.38 -37.77 0.13 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.973 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.558 HG12 ' HB1' ' A' ' 27' ' ' ALA . 3.3 mp -80.52 -56.98 5.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.133 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.594 HD11 HD11 ' A' ' 53' ' ' LEU . 41.4 mt -43.34 -55.41 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.125 179.85 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -52.3 -30.95 30.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.912 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.465 HG23 ' O ' ' A' ' 55' ' ' GLN . 71.6 t -81.48 -63.41 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.13 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 7.4 p -55.23 -22.22 10.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.117 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -107.76 -6.06 17.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.074 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 57.7 t30 52.59 31.76 10.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.943 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -125.2 168.43 13.46 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.859 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.448 ' CE ' ' O ' ' A' ' 65' ' ' ILE . 0.0 OUTLIER -123.33 136.13 54.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.845 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.448 ' O ' ' CE ' ' A' ' 64' ' ' LYS . 6.4 mt -104.91 118.54 52.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.147 179.844 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -91.67 -14.49 29.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.92 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -85.0 23.52 1.21 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.846 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 48.2 mm -100.66 121.94 52.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.084 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -49.79 -45.81 50.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.845 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 98.3 -65.86 0.77 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.483 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 5.8 m -126.67 72.32 74.15 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.629 0.728 . . . . 0.0 110.886 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 133.67 26.18 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.701 2.267 . . . . 0.0 112.356 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.421 ' C ' ' HD3' ' A' ' 73' ' ' LYS . 0.0 OUTLIER -129.1 -36.36 1.76 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.902 179.921 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.409 ' CB ' ' HG3' ' A' ' 77' ' ' GLN . 28.8 t30 -66.1 178.78 1.06 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.895 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 8.9 tpp180 -72.5 -47.01 52.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 52.3 p -85.99 -31.06 22.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.862 -179.814 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.409 ' HG3' ' CB ' ' A' ' 74' ' ' ASN . 11.4 mt-30 -43.67 -37.0 2.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.911 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . 0.445 ' SD ' ' NH1' ' A' ' 105' ' ' ARG . 17.4 mtt -75.04 -38.99 61.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.878 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.478 ' CD1' ' HA ' ' A' ' 102' ' ' GLU . 3.7 mm -55.15 -48.93 75.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.135 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -48.49 -40.94 28.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.891 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -50.24 -69.47 0.11 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.848 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.697 ' H ' HD12 ' A' ' 82' ' ' ILE . 4.8 mp -50.15 -42.37 19.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.151 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -53.88 -50.55 66.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.842 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -55.6 -42.37 74.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.061 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 26.7 m -65.9 -36.77 84.32 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.831 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 92.8 mt -65.67 -43.8 88.22 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.971 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 69.2 m-80 -71.69 -36.67 70.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.917 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.477 ' CD1' ' C ' ' A' ' 88' ' ' PHE . 1.3 t80 -64.27 -42.1 96.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.858 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.496 HD22 HD12 ' A' ' 94' ' ' ILE . 29.0 mt -66.94 -42.16 85.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.95 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -56.93 -27.15 60.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.08 179.805 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -76.0 -30.63 58.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.109 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.472 ' HB3' ' CE2' ' A' ' 122' ' ' TYR . 69.0 mmtt -76.43 -11.79 59.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.913 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 106.62 31.21 4.04 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.452 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.689 HD11 ' CB ' ' A' ' 122' ' ' TYR . 94.4 mt . . . . . 0 C--N 1.329 -0.321 0 CA-C-O 120.861 0.362 . . . . 0.0 111.102 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.418 HD21 ' HA3' ' A' ' 114' ' ' GLY . 56.1 mt -69.3 136.84 52.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.805 0.336 . . . . 0.0 110.962 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . 0.445 ' CB ' ' HG3' ' A' ' 103' ' ' GLU . 1.1 m -120.74 118.25 29.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.859 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -48.33 -44.95 34.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.081 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.478 ' HA ' ' CD1' ' A' ' 79' ' ' ILE . 12.9 tt0 -58.12 -43.17 87.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.914 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.445 ' HG3' ' CB ' ' A' ' 100' ' ' SER . 12.2 mt-10 -70.44 -37.27 74.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.89 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.435 HG12 ' HB1' ' A' ' 111' ' ' ALA . 18.9 mt -68.5 -42.58 83.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.126 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.445 ' NH1' ' SD ' ' A' ' 78' ' ' MET . 1.0 OUTLIER -61.05 -39.29 89.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.86 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 25.0 m-20 -68.19 -28.48 67.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 106.85 23.53 7.07 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.537 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . 0.805 ' O ' HD12 ' A' ' 112' ' ' ILE . 0.1 OUTLIER -63.93 99.19 0.24 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.864 0.364 . . . . 0.0 110.859 -179.819 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.422 HD21 ' HA ' ' A' ' 17' ' ' GLU . 17.4 tp -39.16 -52.28 1.91 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.883 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . 0.42 ' HB2' ' ND2' ' A' ' 108' ' ' ASN . 19.1 mmtp -47.72 -44.41 27.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.902 179.84 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . 0.435 ' HB1' HG12 ' A' ' 104' ' ' ILE . . . -69.26 -62.74 1.26 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.107 179.813 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.805 HD12 ' O ' ' A' ' 108' ' ' ASN . 5.2 mp -43.92 -64.11 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.117 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.47 HD11 ' O ' ' A' ' 16' ' ' LEU . 66.0 mt -41.96 -38.23 1.54 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.895 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . 0.418 ' HA3' HD21 ' A' ' 99' ' ' LEU . . . -62.2 -37.54 94.69 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.522 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 1.023 HD23 ' N ' ' A' ' 116' ' ' PHE . 0.2 OUTLIER -66.03 -62.85 1.27 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.891 0.376 . . . . 0.0 110.945 -179.957 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 1.023 ' N ' HD23 ' A' ' 115' ' ' LEU . 18.0 m-85 -62.36 -15.54 49.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -76.59 -41.84 44.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.847 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 49.1 m -88.46 -41.55 12.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.834 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.469 ' HA ' HD13 ' A' ' 94' ' ' ILE . 2.1 tp -48.64 -58.01 5.37 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.95 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . 0.405 ' HA ' ' CZ2' ' A' ' 26' ' ' TRP . 2.0 m -45.62 -43.63 12.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.819 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 63.0 mtp85 -48.42 -52.5 21.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.838 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' TYR . . . . . 0.689 ' CB ' HD11 ' A' ' 94' ' ' ILE . 3.9 t80 -41.99 -52.94 4.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.913 -179.842 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . 0.432 ' O ' ' C ' ' A' ' 124' ' ' GLN . 15.2 tptp -70.19 -53.53 16.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.883 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' GLN . . . . . 0.432 ' C ' ' O ' ' A' ' 123' ' ' LYS . 55.7 mm-40 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.879 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.493 ' O ' ' N ' ' A' ' 18' ' ' ASP . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.455 -0.258 . . . . 0.0 112.455 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.41 ' C ' ' O ' ' A' ' 15' ' ' GLY . 61.3 mt -37.4 -48.17 0.92 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.78 0.324 . . . . 0.0 110.902 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.715 ' OE2' HD22 ' A' ' 109' ' ' LEU . 59.1 mm-40 -65.83 -37.26 85.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.493 ' N ' ' O ' ' A' ' 15' ' ' GLY . 1.3 m-20 -62.12 -38.4 88.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.906 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.453 ' HA ' HD12 ' A' ' 22' ' ' ILE . 75.5 mt-30 -59.08 -51.8 68.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.923 -179.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.449 ' C ' ' O ' ' A' ' 19' ' ' GLN . 42.6 tttt -34.13 -49.83 0.37 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.904 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.424 ' O ' ' C ' ' A' ' 22' ' ' ILE . 31.3 ttt180 -57.69 -61.64 2.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.888 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.453 HD12 ' HA ' ' A' ' 19' ' ' GLN . 82.2 mt -36.03 -44.03 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.144 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 27.3 m-85 -75.63 -49.87 17.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.94 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.441 ' O ' ' ND2' ' A' ' 28' ' ' ASN . 98.5 m -40.8 -45.6 2.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.093 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -68.52 -38.09 80.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.869 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . 0.469 ' CZ2' ' HA ' ' A' ' 120' ' ' SER . 33.0 t90 -55.35 -57.95 9.75 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.665 ' HB1' HG12 ' A' ' 56' ' ' ILE . . . -60.93 -54.88 39.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.112 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.45 ' OD1' HD22 ' A' ' 39' ' ' LEU . 1.8 m-80 -34.33 -51.48 0.45 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 9.5 t60 -48.03 -52.01 21.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.868 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 77.6 m-85 -60.97 -39.84 91.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.932 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.576 HD11 HD21 ' A' ' 52' ' ' LEU . 11.7 mt -66.09 -29.29 69.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.892 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -80.4 -51.9 8.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.058 179.818 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.0 ptmm? -56.98 -34.74 68.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 7.5 t -84.36 27.92 0.67 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.815 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 40.71 70.73 0.36 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.476 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.455 ' CB ' ' O ' ' A' ' 31' ' ' LEU . 7.8 t-80 -116.66 137.8 51.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.845 0.355 . . . . 0.0 110.862 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 10.5 ptpt -94.5 46.21 1.14 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.918 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 45.3 ttm-85 -173.6 140.29 0.78 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.843 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.45 HD22 ' OD1' ' A' ' 28' ' ' ASN . 82.0 mt -117.21 -174.88 2.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.917 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.6 HG23 ' CG ' ' A' ' 46' ' ' ASP . 86.0 mt -103.09 108.47 24.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.133 179.844 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 14.5 mmt180 -83.52 -62.98 1.44 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.919 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.495 ' N ' ' OD1' ' A' ' 46' ' ' ASP . 70.8 m-20 -112.93 98.18 7.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.867 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.621 HD11 ' CE2' ' A' ' 116' ' ' PHE . 13.3 tp -45.72 -36.31 4.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.927 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.683 ' NE2' HD13 ' A' ' 109' ' ' LEU . 27.8 mt-30 -68.85 -44.53 73.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.912 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 92.1 mt-30 -96.13 12.94 28.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.924 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.6 ' CG ' HG23 ' A' ' 40' ' ' ILE . 0.7 OUTLIER -102.55 -33.4 9.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.902 179.938 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.51 HG22 ' O ' ' A' ' 43' ' ' LEU . 34.5 m -106.76 38.42 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.165 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.4 HG23 ' O ' ' A' ' 44' ' ' GLN . 23.4 p -92.8 -35.55 13.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.118 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.497 ' O ' ' CB ' ' A' ' 81' ' ' ASN . 7.0 m-20 -93.42 -18.74 22.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.855 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 84.9 -28.9 4.34 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.503 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 86.0 t -52.66 -65.8 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.846 0.355 . . . . 0.0 111.117 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.576 HD21 HD11 ' A' ' 31' ' ' LEU . 2.0 tt -53.8 -39.82 65.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.906 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.667 HD11 HD11 ' A' ' 57' ' ' ILE . 5.4 tp -54.86 -55.52 29.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -54.14 -44.0 71.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.108 179.79 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 23.1 mt-30 -40.3 -32.98 0.21 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.966 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.665 HG12 ' HB1' ' A' ' 27' ' ' ALA . 5.2 mp -88.06 -51.36 12.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.122 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.667 HD11 HD11 ' A' ' 53' ' ' LEU . 70.9 mt -50.25 -55.6 5.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.125 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 39.9 mt-30 -49.99 -28.4 6.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 72.2 t -81.41 -69.1 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.108 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 7.5 p -50.07 -29.26 5.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.115 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -91.9 -26.73 18.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.13 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 10.6 m-80 71.87 39.2 0.86 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.904 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -145.51 162.91 36.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.901 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 6.7 tttp -111.14 136.53 50.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.935 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.437 ' HB ' ' CG1' ' A' ' 68' ' ' ILE . 13.6 mt -96.27 113.65 31.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.111 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -76.3 -24.74 54.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.511 ' O ' ' HB2' ' A' ' 84' ' ' ALA . 0.7 OUTLIER -82.55 44.04 0.86 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.848 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.437 ' CG1' ' HB ' ' A' ' 65' ' ' ILE . 31.3 mm -118.62 112.66 38.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.136 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.44 ' OD1' ' C ' ' A' ' 69' ' ' ASN . 13.1 t-20 -69.05 -59.67 2.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.922 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 76.79 127.34 0.29 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.474 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . 0.435 ' N ' ' CD ' ' A' ' 72' ' ' PRO . 56.1 m 66.75 55.02 0.84 Allowed Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.607 0.718 . . . . 0.0 110.899 -179.837 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.485 ' CG ' ' HG3' ' A' ' 78' ' ' MET . 53.1 Cg_endo -69.8 147.65 63.07 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.687 2.258 . . . . 0.0 112.344 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 58.4 mttt -116.98 -44.16 2.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.937 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.428 ' O ' ' N ' ' A' ' 77' ' ' GLN . 20.8 t-20 -83.98 133.31 34.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.923 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.492 ' HG2' ' CZ ' ' A' ' 105' ' ' ARG . 0.9 OUTLIER -38.77 -32.19 0.08 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.86 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.405 ' O ' ' N ' ' A' ' 79' ' ' ILE . 3.4 m -81.71 -42.86 19.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.814 -179.736 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.428 ' N ' ' O ' ' A' ' 74' ' ' ASN . 7.1 mt-30 -41.77 -27.44 0.11 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.895 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . 0.485 ' HG3' ' CG ' ' A' ' 72' ' ' PRO . 1.5 mpt? -75.07 -44.52 47.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.405 ' N ' ' O ' ' A' ' 76' ' ' SER . 40.3 mm -41.33 -56.02 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.12 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.408 ' O ' ' C ' ' A' ' 81' ' ' ASN . 27.2 mt-10 -44.66 -60.17 2.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.93 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.497 ' CB ' ' O ' ' A' ' 49' ' ' ASP . 2.7 m-20 -37.46 -66.91 0.21 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.9 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 37.2 mt -55.82 -40.32 60.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.147 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -53.87 -52.41 60.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.853 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.511 ' HB2' ' O ' ' A' ' 67' ' ' ASP . . . -49.66 -42.17 44.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.092 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 59.8 m -64.42 -47.85 77.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 54.0 mt -57.13 -48.57 78.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.903 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 68.6 m-80 -69.2 -41.96 76.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.573 ' CZ ' ' HE2' ' A' ' 92' ' ' LYS . 20.7 t80 -61.49 -39.51 91.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.855 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 72.9 mt -68.45 -49.06 62.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.927 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -44.43 -53.57 6.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.115 179.745 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -50.12 -32.75 16.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.112 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.573 ' HE2' ' CZ ' ' A' ' 88' ' ' PHE . 39.5 mmtm -70.95 -26.16 63.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.857 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 120.24 29.32 1.64 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.506 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.714 HD11 ' HB2' ' A' ' 122' ' ' TYR . 52.0 mt . . . . . 0 C--N 1.329 -0.307 0 CA-C-O 120.856 0.36 . . . . 0.0 111.095 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 59.4 mt -59.9 176.76 0.28 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.848 0.356 . . . . 0.0 110.891 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 4.3 m -155.7 119.57 4.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.851 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -54.11 -50.69 66.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.08 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -50.68 -54.5 22.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.875 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -56.95 -45.4 82.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.868 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 76.5 mt -58.5 -50.27 79.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.104 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.492 ' CZ ' ' HG2' ' A' ' 75' ' ' ARG . 5.8 ttt-85 -52.98 -37.22 61.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.858 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 72.0 m-80 -68.24 -28.3 67.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.891 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . 0.432 ' HA2' HD11 ' A' ' 112' ' ' ILE . . . 96.37 28.41 9.13 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.499 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . 0.559 ' O ' HD12 ' A' ' 112' ' ' ILE . 32.6 t30 -73.87 105.27 5.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.881 0.372 . . . . 0.0 110.902 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.715 HD22 ' OE2' ' A' ' 17' ' ' GLU . 8.6 tp -37.74 -49.75 1.17 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.892 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 29.8 mmtt -48.08 -42.24 28.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . 0.412 ' N ' ' O ' ' A' ' 108' ' ' ASN . . . -72.49 -64.09 1.02 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.083 179.829 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.68 ' H ' HD12 ' A' ' 112' ' ' ILE . 5.1 mp -43.7 -60.86 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.159 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.482 HD11 ' HG ' ' A' ' 109' ' ' LEU . 94.3 mt -43.79 -42.12 5.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.935 179.853 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -61.36 -47.59 89.94 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.486 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.884 HD23 ' N ' ' A' ' 116' ' ' PHE . 0.3 OUTLIER -55.14 -57.97 9.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.806 0.336 . . . . 0.0 110.882 -179.923 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.884 ' N ' HD23 ' A' ' 115' ' ' LEU . 10.7 m-85 -66.16 -27.97 68.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . 0.524 ' CD1' ' C ' ' A' ' 117' ' ' PHE . 1.8 t80 -64.28 -37.18 86.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.858 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 23.0 p -91.77 -48.76 6.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.862 -179.809 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.493 ' HA ' HD13 ' A' ' 94' ' ' ILE . 14.8 tp -42.76 -60.72 1.47 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.912 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . 0.469 ' HA ' ' CZ2' ' A' ' 26' ' ' TRP . 5.8 t -37.9 -53.47 1.32 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.83 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . 0.405 ' C ' ' O ' ' A' ' 120' ' ' SER . 63.3 mtm180 -37.95 -45.54 0.88 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.846 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' TYR . . . . . 0.714 ' HB2' HD11 ' A' ' 94' ' ' ILE . 36.4 t80 -41.8 -56.7 2.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.901 -179.839 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . 0.423 ' O ' ' C ' ' A' ' 124' ' ' GLN . 12.6 tptp -78.25 -53.89 6.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' GLN . . . . . 0.423 ' C ' ' O ' ' A' ' 123' ' ' LYS . 43.3 mt-30 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.893 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.457 ' O ' ' N ' ' A' ' 18' ' ' ASP . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.402 ' C ' ' O ' ' A' ' 15' ' ' GLY . 40.4 mt -37.62 -53.79 1.2 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.715 0.293 . . . . 0.0 110.879 -179.88 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -55.96 -38.9 70.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.457 ' N ' ' O ' ' A' ' 15' ' ' GLY . 0.6 OUTLIER -69.58 -48.49 60.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.826 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.575 ' HA ' HD12 ' A' ' 22' ' ' ILE . 29.5 mt-30 -47.49 -41.34 20.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 -179.871 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 50.1 tttt -48.34 -36.87 15.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 24.2 ttp180 -75.92 -59.15 2.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.851 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.575 HD12 ' HA ' ' A' ' 19' ' ' GLN . 41.5 mt -38.41 -37.73 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.131 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 -74.82 -52.05 12.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.964 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.611 HG22 ' OD1' ' A' ' 28' ' ' ASN . 89.8 m -41.34 -53.12 3.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.145 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 31.8 t0 -60.63 -35.91 77.32 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.888 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 72.9 t90 -62.57 -44.48 96.23 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.688 ' HB1' HG12 ' A' ' 56' ' ' ILE . . . -76.44 -39.31 53.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.076 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.611 ' OD1' HG22 ' A' ' 24' ' ' THR . 23.4 m120 -47.33 -47.34 25.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.926 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 44.3 t60 -53.29 -53.67 47.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.848 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 73.9 m-85 -57.9 -19.27 28.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.917 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.492 HD22 ' CD2' ' A' ' 36' ' ' HIS . 15.8 mt -88.66 -47.25 8.4 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.921 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.79 -32.82 73.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.085 179.81 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.4 ptmm? -62.93 -38.31 90.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.916 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 56.0 p -89.58 18.2 5.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.854 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 63.47 61.58 6.15 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.501 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . 0.492 ' CD2' HD22 ' A' ' 31' ' ' LEU . 76.3 t60 -117.63 81.8 1.72 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.917 0.389 . . . . 0.0 110.852 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.436 ' C ' ' O ' ' A' ' 36' ' ' HIS . 35.9 mttp -34.19 -61.42 0.37 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.908 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.479 ' HG2' ' N ' ' A' ' 39' ' ' LEU . 57.4 ttm-85 -49.6 162.79 0.14 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.871 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.479 ' N ' ' HG2' ' A' ' 38' ' ' ARG . 50.7 mt -143.86 176.05 9.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.868 HG23 ' HB2' ' A' ' 46' ' ' ASP . 92.3 mt -98.24 114.75 36.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.126 179.858 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 14.1 mmt85 -82.88 -63.86 1.28 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.485 ' O ' ' N ' ' A' ' 45' ' ' GLN . 56.1 m-20 -114.78 100.69 8.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.842 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.712 HD11 ' CE2' ' A' ' 116' ' ' PHE . 14.9 tp -34.34 -37.12 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.903 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.419 ' N ' ' O ' ' A' ' 42' ' ' ASP . 49.8 mt-30 -63.83 -48.58 76.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.897 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.542 ' HA ' HG23 ' A' ' 48' ' ' THR . 34.2 mm-40 -76.15 -25.98 55.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.933 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.868 ' HB2' HG23 ' A' ' 40' ' ' ILE . 0.2 OUTLIER -66.91 -11.58 56.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.876 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.658 ' O ' HG22 ' A' ' 104' ' ' ILE . 17.9 m -129.18 38.12 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.11 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.542 HG23 ' HA ' ' A' ' 45' ' ' GLN . 1.9 p -90.68 -33.86 15.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.182 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 30.4 p-10 -107.05 -15.39 14.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.838 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 85.41 -21.92 12.0 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.526 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 42.8 t -58.26 -67.56 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.925 0.393 . . . . 0.0 111.097 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.528 ' O ' HD12 ' A' ' 56' ' ' ILE . 0.9 OUTLIER -55.04 -33.1 62.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.947 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.644 ' HB2' HG12 ' A' ' 47' ' ' VAL . 2.0 tp -63.11 -51.0 68.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.883 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -62.91 -33.83 76.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.094 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.448 HE22 ' CE1' ' A' ' 36' ' ' HIS . 18.3 mt-30 -48.13 -26.14 1.75 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.868 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.688 HG12 ' HB1' ' A' ' 27' ' ' ALA . 5.0 mp -92.86 -57.3 4.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.159 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.5 HD11 HD11 ' A' ' 53' ' ' LEU . 57.4 mt -42.69 -54.77 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.154 179.838 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -50.44 -34.98 26.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 94.2 t -76.89 -65.26 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.104 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 6.6 p -54.34 -19.61 3.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.135 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -106.46 -9.21 16.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.103 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 62.8 t30 54.0 39.9 31.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -139.79 165.18 27.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.907 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 27.0 ttpt -116.75 137.71 52.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.863 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.428 ' HB ' ' CG1' ' A' ' 68' ' ' ILE . 17.4 mt -100.75 110.56 28.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.115 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -78.81 -10.58 59.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.871 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -94.41 38.88 1.09 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.887 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.428 ' CG1' ' HB ' ' A' ' 65' ' ' ILE . 23.2 mm -115.68 110.7 32.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.104 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 67.0 t30 -41.95 -48.89 4.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 100.44 -64.07 0.59 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.526 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 40.8 t -126.09 83.53 63.19 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.602 0.715 . . . . 0.0 110.853 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 137.37 35.28 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.696 2.264 . . . . 0.0 112.37 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 5.4 mtmp? -124.7 -34.23 2.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.855 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -90.46 169.4 11.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.887 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 4.2 ptp180 -71.44 -26.15 62.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.902 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.433 ' O ' ' N ' ' A' ' 79' ' ' ILE . 63.1 m -91.05 -36.27 14.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 -179.813 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -45.98 -26.62 0.75 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.972 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 18.7 mtt -81.85 -31.86 31.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.854 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.433 ' N ' ' O ' ' A' ' 76' ' ' SER . 26.9 mm -53.48 -50.78 47.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.129 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -55.7 -48.17 75.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.91 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 7.5 m-20 -45.41 -68.66 0.18 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.903 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 13.7 mt -52.56 -36.69 22.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.138 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -60.75 -44.53 96.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -55.77 -41.69 74.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.145 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 60.3 m -65.97 -42.5 89.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 73.5 mt -62.38 -43.26 99.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.881 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 69.0 m-80 -73.04 -38.66 66.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.877 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.483 ' CD1' ' C ' ' A' ' 88' ' ' PHE . 1.3 t80 -63.04 -38.07 89.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.45 HD22 HD12 ' A' ' 94' ' ' ILE . 26.8 mt -68.52 -49.42 59.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.951 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -45.95 -46.87 16.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.118 179.786 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -59.13 -30.97 68.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.124 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.427 ' HB3' ' CE2' ' A' ' 122' ' ' TYR . 69.3 mmtt -75.58 -14.6 60.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.91 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 107.03 38.99 2.06 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.464 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.553 HD11 ' HB2' ' A' ' 122' ' ' TYR . 73.4 mt . . . . . 0 C--N 1.329 -0.312 0 CA-C-O 120.852 0.358 . . . . 0.0 111.132 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.378 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 49.1 mt -69.01 171.86 7.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.851 0.358 . . . . 0.0 110.908 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 31.1 m -150.95 106.12 3.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.837 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -43.23 -40.61 3.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.149 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -60.24 -53.52 56.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 22.5 mm-40 -53.8 -44.73 70.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.872 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.658 HG22 ' O ' ' A' ' 47' ' ' VAL . 41.6 mt -58.03 -42.34 82.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.11 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 10.1 ttt85 -60.65 -33.29 72.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 63.5 m-20 -76.31 -18.37 58.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 90.74 35.82 7.1 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.482 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' ASN . . . . . 0.769 ' O ' HD12 ' A' ' 112' ' ' ILE . 11.3 t-20 -78.47 100.16 6.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.891 0.377 . . . . 0.0 110.871 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 4.4 tp -39.92 -65.07 0.43 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.927 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 12.5 mmtp -38.38 -34.23 0.12 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.94 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . 0.452 ' HB3' ' O ' ' A' ' 108' ' ' ASN . . . -76.36 -63.05 1.42 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.107 179.797 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.769 HD12 ' O ' ' A' ' 108' ' ' ASN . 5.3 mp -47.76 -58.83 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.134 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 75.8 mt -40.51 -47.28 2.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.915 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -55.51 -42.91 85.24 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.434 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.983 HD23 ' N ' ' A' ' 116' ' ' PHE . 0.1 OUTLIER -63.45 -57.88 8.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.853 0.358 . . . . 0.0 110.914 -179.922 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.983 ' N ' HD23 ' A' ' 115' ' ' LEU . 11.1 m-85 -66.15 -17.94 65.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.878 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . 0.473 ' CD1' ' C ' ' A' ' 117' ' ' PHE . 4.0 t80 -73.47 -36.83 65.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.874 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . 0.411 ' OG ' HG23 ' A' ' 94' ' ' ILE . 8.0 t -93.27 -46.72 7.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.871 -179.792 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 5.5 tp -43.74 -53.04 6.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.969 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 56.7 p -52.27 -32.91 39.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.844 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . 0.482 ' CZ ' ' HB3' ' A' ' 121' ' ' ARG . 9.5 mtp-105 -61.07 -49.21 78.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.868 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' TYR . . . . . 0.553 ' HB2' HD11 ' A' ' 94' ' ' ILE . 4.8 t80 -41.62 -56.12 2.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.903 -179.854 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 9.1 tptp -63.24 -43.59 97.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.875 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 18.7 mm100 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.929 179.963 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 t -126.6 137.49 53.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.847 0.356 . . . . 0.0 110.856 -179.722 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 95.7 p -96.11 160.87 14.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.882 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -164.73 98.3 0.15 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.471 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.1 t -143.68 171.26 14.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.874 0.369 . . . . 0.0 110.851 -179.732 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.0 m -100.2 95.71 6.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.835 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -118.12 -138.7 6.02 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.522 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 24.7 pttm -90.66 140.61 29.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.763 0.316 . . . . 0.0 110.894 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 4.1 tpp85 -110.39 120.19 41.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.842 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 32.4 mttt -130.04 155.83 80.08 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.614 0.721 . . . . 0.0 110.884 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 113.22 3.29 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.688 2.259 . . . . 0.0 112.37 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 7.6 p -146.88 142.24 20.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.098 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 42.4 mm -86.7 150.46 3.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.127 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.752 ' CG ' HD11 ' A' ' 22' ' ' ILE . 62.6 m80 -123.99 81.12 1.88 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -43.17 167.34 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.458 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 42.3 mt -41.29 -55.33 2.74 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.792 0.33 . . . . 0.0 110.897 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -58.02 -37.95 75.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.909 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.43 ' HB2' ' C ' ' A' ' 14' ' ' HIS . 10.9 m-20 -65.11 -38.34 90.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.864 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.434 ' O ' ' C ' ' A' ' 20' ' ' LYS . 25.1 mt-30 -60.57 -50.16 74.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.87 -179.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.554 ' HB2' HD11 ' A' ' 109' ' ' LEU . 34.4 tttt -35.05 -36.53 0.06 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.885 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.446 ' O ' ' C ' ' A' ' 22' ' ' ILE . 1.6 tmt_? -75.84 -64.43 1.09 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.878 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.752 HD11 ' CG ' ' A' ' 14' ' ' HIS . 91.2 mt -33.85 -50.51 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.119 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.527 ' CD1' ' HB3' ' A' ' 116' ' ' PHE . 26.6 m-85 -64.1 -49.75 71.02 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.94 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.536 HG22 ' ND2' ' A' ' 28' ' ' ASN . 41.5 m -43.64 -48.09 7.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.109 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 34.5 t0 -65.4 -43.85 89.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.858 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.419 ' CZ2' ' HA ' ' A' ' 120' ' ' SER . 91.7 t90 -55.02 -41.05 70.84 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.911 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.705 ' HB1' HD13 ' A' ' 56' ' ' ILE . . . -76.8 -56.64 4.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.113 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.536 ' ND2' HG22 ' A' ' 24' ' ' THR . 32.0 m-20 -38.7 -39.71 0.53 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.863 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -54.95 -44.2 74.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.858 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.648 ' CZ ' HG23 ' A' ' 60' ' ' VAL . 72.4 m-85 -69.86 -24.01 63.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 -179.795 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.566 HD11 HD21 ' A' ' 52' ' ' LEU . 15.2 mt -79.82 -56.92 3.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.934 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -57.0 -49.65 75.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.103 179.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 9.1 ptmt -46.62 -38.7 9.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.9 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 37.9 p -90.85 31.92 1.03 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 51.85 61.5 6.42 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.518 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.48 ' CD2' HD22 ' A' ' 31' ' ' LEU . 85.4 t60 -119.39 85.47 2.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.809 0.338 . . . . 0.0 110.864 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 36' ' ' HIS . 35.2 mttt -37.59 -71.28 0.08 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.865 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.41 ' O ' ' CD2' ' A' ' 36' ' ' HIS . 26.7 ttm180 -43.85 150.54 0.25 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.894 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.474 HD22 ' OD1' ' A' ' 28' ' ' ASN . 39.1 mt -133.17 179.91 5.9 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.903 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.823 HD11 HD11 ' A' ' 56' ' ' ILE . 95.9 mt -96.63 107.59 20.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.127 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 13.5 mmm-85 -83.66 -58.11 2.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.877 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.404 ' O ' ' N ' ' A' ' 45' ' ' GLN . 0.6 OUTLIER -115.0 101.33 8.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.863 179.943 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.538 HD11 ' CE2' ' A' ' 116' ' ' PHE . 13.7 tp -44.93 -41.71 7.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.934 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.547 ' CD ' HD13 ' A' ' 109' ' ' LEU . 31.3 mt-30 -66.35 -29.64 69.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.931 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.404 ' N ' ' O ' ' A' ' 42' ' ' ASP . 10.4 mt-30 -102.83 7.11 39.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.924 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.589 ' OD1' HD22 ' A' ' 52' ' ' LEU . 0.4 OUTLIER -100.64 -9.27 22.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.86 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.547 HG12 ' HB2' ' A' ' 53' ' ' LEU . 29.8 m -130.4 34.3 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.149 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 22.4 p -92.02 -25.02 19.01 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.131 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -108.81 -14.55 14.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.87 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 80.11 -17.08 10.29 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.456 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 91.0 t -61.79 -66.0 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.858 0.361 . . . . 0.0 111.126 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.61 ' O ' HD23 ' A' ' 52' ' ' LEU . 1.8 tt -59.32 -27.59 66.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.906 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.559 HD11 HD11 ' A' ' 57' ' ' ILE . 1.8 tp -65.76 -53.57 38.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.919 179.853 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.24 -37.04 81.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.099 179.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.501 ' O ' HG23 ' A' ' 59' ' ' VAL . 14.6 mt-30 -48.39 -22.89 0.78 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.94 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.823 HD11 HD11 ' A' ' 40' ' ' ILE . 11.6 mt -95.49 -48.83 12.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.107 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.559 HD11 HD11 ' A' ' 53' ' ' LEU . 47.2 mt -52.65 -54.66 14.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.148 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -53.61 -21.41 6.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.898 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.501 HG23 ' O ' ' A' ' 55' ' ' GLN . 85.5 t -86.24 -67.62 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.077 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.648 HG23 ' CZ ' ' A' ' 30' ' ' TYR . 13.9 p -52.95 -35.39 22.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.091 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -85.83 -24.47 26.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.059 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 8.3 m-80 68.18 38.89 2.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.914 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -139.55 160.26 40.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.2 139.27 41.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.4 ' HB ' ' CG1' ' A' ' 68' ' ' ILE . 20.1 mt -108.29 102.27 13.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.113 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -74.64 -14.46 60.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.916 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 64.0 m-20 -87.54 31.32 0.75 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.85 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.4 ' CG1' ' HB ' ' A' ' 65' ' ' ILE . 37.0 mm -111.83 118.62 58.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.158 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 59.9 t30 -44.83 -53.74 7.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.893 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 95.49 -47.95 1.9 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.542 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 92.1 m -129.53 80.87 71.07 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.672 0.748 . . . . 0.0 110.868 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.425 ' HB2' ' CG ' ' A' ' 78' ' ' MET . 53.7 Cg_endo -69.75 132.23 22.91 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.646 2.231 . . . . 0.0 112.303 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 22.9 mttt -127.95 -49.84 1.34 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 20.4 t30 -81.46 161.42 23.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.857 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.438 ' HB2' ' NH2' ' A' ' 105' ' ' ARG . 0.3 OUTLIER -61.96 -29.12 70.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.888 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 76.3 p -84.74 -45.46 12.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.876 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -41.77 -48.0 4.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.895 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.425 ' CG ' ' HB2' ' A' ' 72' ' ' PRO . 14.4 mtt -54.75 -37.95 66.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.836 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 4.3 mm -53.28 -59.07 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.169 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -41.14 -43.16 2.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.939 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -54.01 -66.0 0.47 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.939 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 16.1 mt -56.52 -40.46 68.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.087 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -57.15 -51.07 70.8 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.806 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -54.7 -38.2 66.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.085 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 49.3 m -66.23 -40.29 90.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.908 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 67.8 mt -65.15 -49.53 69.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.897 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 57.1 m-80 -64.52 -35.25 80.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.915 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.41 ' CE1' ' CG2' ' A' ' 57' ' ' ILE . 1.7 t80 -67.13 -36.22 81.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.423 HD22 HD12 ' A' ' 94' ' ' ILE . 27.8 mt -72.46 -45.43 59.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -50.84 -44.88 59.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.094 179.777 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -60.89 -28.79 69.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.135 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 25.9 mmtp -77.88 -10.27 59.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 102.79 27.73 6.56 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.51 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.638 HD11 ' HB2' ' A' ' 122' ' ' TYR . 78.2 mt -108.67 123.46 64.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.893 0.378 . . . . 0.0 111.122 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -66.0 112.05 3.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.887 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 36.4 pt -107.99 -17.31 8.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.15 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 5.3 mm100 -47.01 131.72 12.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.94 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 110.22 -38.78 3.15 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.481 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 71.7 mt -62.88 -178.41 0.21 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.85 0.357 . . . . 0.0 110.899 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 13.1 m -162.95 107.3 1.09 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.844 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -42.94 -44.14 4.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.112 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -57.78 -52.44 65.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.878 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 32.8 mm-40 -55.03 -42.04 72.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.401 HG22 ' O ' ' A' ' 47' ' ' VAL . 23.2 mt -65.15 -41.7 92.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.126 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.438 ' NH2' ' HB2' ' A' ' 75' ' ' ARG . 15.8 ttt-85 -61.03 -34.71 75.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.835 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 25.7 m-20 -72.62 -26.56 61.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.895 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 100.82 21.15 12.61 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.446 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . 0.721 ' O ' HD12 ' A' ' 112' ' ' ILE . 60.3 t30 -67.16 106.85 2.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.879 0.371 . . . . 0.0 110.923 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.554 HD11 ' HB2' ' A' ' 20' ' ' LYS . 10.3 tp -42.86 -63.95 0.71 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.907 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.447 ' C ' ' O ' ' A' ' 109' ' ' LEU . 15.9 mmtm -34.32 -36.02 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 179.825 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . 0.44 ' N ' ' O ' ' A' ' 109' ' ' LEU . . . -78.0 -72.79 0.35 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.13 179.806 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.721 HD12 ' O ' ' A' ' 108' ' ' ASN . 5.3 mp -37.82 -52.28 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.149 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 17.0 mt -52.53 -46.91 66.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.905 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -57.69 -35.7 75.32 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.511 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.959 HD23 ' N ' ' A' ' 116' ' ' PHE . 0.2 OUTLIER -66.46 -57.21 7.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.839 0.352 . . . . 0.0 110.942 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.959 ' N ' HD23 ' A' ' 115' ' ' LEU . 12.4 m-85 -65.64 -14.76 61.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.879 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . 0.449 ' CD1' ' C ' ' A' ' 117' ' ' PHE . 3.3 t80 -78.56 -31.89 47.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 8.8 p -93.8 -42.4 9.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.877 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 12.5 tp -49.58 -59.1 4.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.928 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . 0.419 ' HA ' ' CZ2' ' A' ' 26' ' ' TRP . 41.4 t -44.3 -40.82 5.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 39.5 mtp85 -51.07 -54.45 24.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.896 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . 0.638 ' HB2' HD11 ' A' ' 94' ' ' ILE . 1.3 t80 -40.57 -50.56 2.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.914 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 21.5 tptt -67.4 -55.12 15.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.858 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 59.3 mm-40 -50.7 146.6 5.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.893 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 22.2 tt0 69.94 35.03 2.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.958 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 7.5 mm100 -108.72 90.35 3.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.915 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 67.4 mt-30 -125.18 113.25 17.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.923 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . 0.464 ' OE1' ' N ' ' A' ' 128' ' ' GLN . 0.0 OUTLIER -118.95 142.49 32.03 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.609 0.718 . . . . 0.0 110.926 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--N 1.341 0.173 0 C-N-CA 122.692 2.261 . . . . 0.0 112.358 179.961 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.4 t -106.49 138.4 42.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.828 0.346 . . . . 0.0 110.881 -179.751 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.9 t -49.09 99.59 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.831 -179.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 119.76 -166.21 13.43 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.494 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.8 m -102.91 95.34 6.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.907 0.384 . . . . 0.0 110.813 -179.724 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.6 t -131.83 143.84 50.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.83 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -117.18 -146.61 8.38 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.481 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 21.1 mmtp -148.88 168.37 23.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.826 0.346 . . . . 0.0 110.868 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 8.5 mpt_? -99.93 -74.96 0.58 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.835 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.401 ' HD2' ' N ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -50.58 152.68 3.19 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.563 0.697 . . . . 0.0 110.92 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 134.46 27.93 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.692 2.261 . . . . 0.0 112.33 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 12.3 p -111.95 139.39 36.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.154 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.6 mm -92.63 135.15 28.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.084 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.619 ' CG ' HD11 ' A' ' 22' ' ' ILE . 82.9 m-70 -102.61 87.96 3.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 179.836 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.47 ' N ' ' HB2' ' A' ' 18' ' ' ASP . . . -46.54 173.63 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.477 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.465 ' HB3' HD23 ' A' ' 109' ' ' LEU . 87.5 mt -43.87 -60.91 1.62 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.818 0.342 . . . . 0.0 110.957 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.491 ' HA ' HD21 ' A' ' 109' ' ' LEU . 1.5 pm0 -55.64 -36.68 67.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.891 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.47 ' HB2' ' N ' ' A' ' 15' ' ' GLY . 0.9 OUTLIER -64.21 -41.45 97.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.85 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.408 ' O ' ' C ' ' A' ' 20' ' ' LYS . 35.5 mt-30 -53.52 -51.69 62.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 19' ' ' GLN . 33.5 tttt -36.25 -46.28 0.51 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.918 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.444 ' HD2' ' N ' ' A' ' 22' ' ' ILE . 1.4 tmm_? -60.25 -57.85 11.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.619 HD11 ' CG ' ' A' ' 14' ' ' HIS . 72.9 mt -44.84 -43.47 2.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.145 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 25.2 m-85 -73.05 -46.23 52.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.569 HG23 HG22 ' A' ' 40' ' ' ILE . 53.7 m -48.06 -55.85 9.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.135 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -64.09 -32.67 74.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.852 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 81.4 t90 -61.52 -47.26 86.42 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.907 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.506 ' HB1' HG12 ' A' ' 56' ' ' ILE . . . -70.52 -43.42 69.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.074 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.449 ' OD1' HD22 ' A' ' 39' ' ' LEU . 40.9 m-20 -46.65 -52.01 14.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.921 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -41.18 -43.9 2.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.86 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.522 ' CE2' ' HB ' ' A' ' 60' ' ' VAL . 96.8 m-85 -66.43 -44.64 82.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.915 -179.838 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.585 HD11 HD21 ' A' ' 52' ' ' LEU . 57.0 mt -62.86 -39.02 93.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.948 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -71.14 -52.51 18.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.1 179.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.467 ' NZ ' HG12 ' A' ' 59' ' ' VAL . 5.4 pttm -60.18 -30.81 69.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.911 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.9 t -80.78 -7.65 59.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.848 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.99 63.04 1.85 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.522 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 2.6 t-80 -116.62 156.6 26.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.864 0.364 . . . . 0.0 110.847 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 54.4 mmtt -94.0 -72.85 0.59 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.879 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 8.3 ttm-85 -63.59 131.69 48.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.906 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.449 HD22 ' OD1' ' A' ' 28' ' ' ASN . 39.6 mt -100.48 -175.14 2.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.943 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.569 HG22 HG23 ' A' ' 24' ' ' THR . 57.9 mt -96.71 102.57 13.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.164 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.404 ' N ' ' OD2' ' A' ' 46' ' ' ASP . 15.5 mmt-85 -79.46 -64.26 1.23 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.836 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -115.12 98.15 6.62 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.858 HD11 ' CE2' ' A' ' 116' ' ' PHE . 14.7 tp -43.52 -31.9 0.81 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.911 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.461 ' HG2' HD13 ' A' ' 112' ' ' ILE . 59.6 mt-30 -69.98 -40.22 75.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.639 ' HA ' HG23 ' A' ' 48' ' ' THR . 6.7 mm100 -84.57 -56.48 3.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.954 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.404 ' OD2' ' N ' ' A' ' 41' ' ' ARG . 28.4 m-20 -42.69 -23.66 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.839 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.726 HG22 ' O ' ' A' ' 43' ' ' LEU . 10.3 m -108.55 39.78 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.116 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.639 HG23 ' HA ' ' A' ' 45' ' ' GLN . 18.9 p -99.57 -27.43 13.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.128 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -108.04 -17.0 14.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 86.51 -21.31 18.51 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.509 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 70.0 t -54.55 -70.55 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.86 0.362 . . . . 0.0 111.138 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.662 ' O ' HD12 ' A' ' 56' ' ' ILE . 2.3 tt -54.61 -37.56 65.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.941 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.743 HD11 HD11 ' A' ' 57' ' ' ILE . 1.5 tp -56.3 -46.91 79.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.94 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -67.85 -38.99 83.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.071 179.82 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.7 ' O ' HG23 ' A' ' 59' ' ' VAL . 28.0 mt-30 -41.57 -30.23 0.21 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.921 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.662 HD12 ' O ' ' A' ' 52' ' ' LEU . 5.0 mp -92.14 -58.08 3.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.102 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.743 HD11 HD11 ' A' ' 53' ' ' LEU . 61.7 mt -39.22 -51.18 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.147 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 -60.58 -34.03 73.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.909 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.7 HG23 ' O ' ' A' ' 55' ' ' GLN . 69.4 t -74.57 -58.51 4.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.144 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.522 ' HB ' ' CE2' ' A' ' 30' ' ' TYR . 6.1 p -58.83 -25.95 30.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.08 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -98.53 -18.56 18.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.091 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 7.5 m120 65.82 30.78 9.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -133.24 159.76 39.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.847 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -108.06 137.5 45.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.886 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.41 ' HB ' ' CG1' ' A' ' 68' ' ' ILE . 35.6 mt -99.68 102.26 13.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.129 179.846 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -71.85 -9.66 58.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.839 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 46.1 t0 -94.32 34.98 1.22 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.863 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.41 ' CG1' ' HB ' ' A' ' 65' ' ' ILE . 29.3 mm -114.85 121.51 67.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.162 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 44.1 t30 -54.56 -52.96 60.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 101.28 -52.32 0.9 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.469 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 78.1 m -133.38 80.98 56.51 Favored Pre-proline 0 C--N 1.327 -0.378 0 CA-C-O 121.644 0.735 . . . . 0.0 110.853 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 122.79 9.46 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.693 2.262 . . . . 0.0 112.325 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 7.1 mmmm -110.96 -37.86 5.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.429 ' HB2' ' CG ' ' A' ' 77' ' ' GLN . 64.5 m-20 -79.92 166.57 21.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.916 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 1.1 tmt_? -72.69 -34.1 66.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.2 m -86.59 -29.02 22.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.429 ' CG ' ' HB2' ' A' ' 74' ' ' ASN . 6.4 mm-40 -48.19 -39.4 20.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.879 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 12.8 mtt -61.21 -43.1 99.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.848 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 20.8 mm -45.21 -58.0 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.149 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.418 ' O ' ' C ' ' A' ' 81' ' ' ASN . 20.6 mt-10 -44.18 -60.47 1.88 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.85 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.418 ' C ' ' O ' ' A' ' 80' ' ' GLU . 5.2 m-20 -36.16 -72.29 0.06 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 22.4 mt -48.93 -38.17 10.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.177 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -57.76 -49.99 74.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.897 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -52.59 -39.25 61.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.142 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 57.9 m -65.76 -37.79 87.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.885 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.47 ' O ' HG21 ' A' ' 96' ' ' ILE . 82.0 mt -68.23 -42.83 79.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 69.2 m-80 -75.21 -33.74 61.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.88 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 12.3 t80 -67.92 -31.19 70.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.907 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 42.2 mt -79.12 -45.47 19.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.923 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -53.25 -42.92 66.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.113 179.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -60.55 -20.8 61.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.111 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 21.8 mmtp -86.56 -16.6 36.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 112.49 33.38 2.11 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.46 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.567 HD11 ' HB2' ' A' ' 122' ' ' TYR . 67.1 mt -116.88 124.93 73.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.886 0.374 . . . . 0.0 111.096 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -67.73 115.0 6.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.86 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.47 HG21 ' O ' ' A' ' 86' ' ' LEU . 44.1 pt -107.94 -21.39 5.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.122 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 6.5 mm100 -40.72 127.85 2.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.907 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 111.98 -37.34 3.72 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.485 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 39.3 mt -68.07 154.54 41.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.787 0.327 . . . . 0.0 110.921 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 7.0 m -134.64 108.16 7.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.829 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -43.52 -38.56 2.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.139 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -61.03 -53.35 58.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -52.82 -44.82 66.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.869 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 17.4 mt -59.1 -46.44 91.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.158 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 18.8 ttt-85 -58.23 -35.67 72.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.892 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 84.3 m-20 -72.61 -22.79 60.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 93.35 36.49 5.9 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.477 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . 0.761 ' O ' HD12 ' A' ' 112' ' ' ILE . 0.1 OUTLIER -80.9 102.23 9.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.882 0.372 . . . . 0.0 110.869 -179.853 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.491 HD21 ' HA ' ' A' ' 17' ' ' GLU . 2.6 tp -37.87 -55.3 1.21 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 12.6 mmtp -45.42 -40.75 8.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . 0.401 ' N ' ' O ' ' A' ' 108' ' ' ASN . . . -70.5 -63.66 1.05 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.14 179.793 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.761 HD12 ' O ' ' A' ' 108' ' ' ASN . 5.3 mp -46.75 -61.45 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.132 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 85.1 mt -44.82 -45.3 10.05 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.923 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -58.34 -32.91 68.95 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.511 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 1.02 HD23 ' N ' ' A' ' 116' ' ' PHE . 0.1 OUTLIER -73.26 -58.44 3.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.816 0.341 . . . . 0.0 110.916 -179.933 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 1.02 ' N ' HD23 ' A' ' 115' ' ' LEU . 12.1 m-85 -63.58 -20.48 65.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.851 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 12.8 t80 -70.54 -33.07 70.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 5.0 m -93.8 -43.6 8.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 10.4 tp -49.03 -57.83 5.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.928 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.3 t -42.34 -45.7 4.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.838 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 35.5 mtp85 -47.45 -50.94 21.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.863 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . 0.567 ' HB2' HD11 ' A' ' 94' ' ' ILE . 2.2 t80 -47.47 -51.35 20.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.967 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 27.9 tptt -64.21 -48.57 75.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.87 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -61.9 153.68 28.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.929 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 58.6 mt-30 48.96 48.19 20.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.874 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -81.77 49.85 1.42 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 -95.28 -39.1 10.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.867 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -136.95 151.26 71.85 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.569 0.7 . . . . 0.0 110.943 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--N 1.341 0.15 0 C-N-CA 122.681 2.254 . . . . 0.0 112.351 -179.984 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.8 p -131.06 119.54 22.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.837 0.351 . . . . 0.0 110.847 -179.708 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 61.4 p -40.37 -48.09 2.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.87 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 112.09 167.43 17.83 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.534 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.2 t -163.81 146.1 9.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.855 0.36 . . . . 0.0 110.829 -179.711 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 36.3 t -60.39 -56.29 23.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.845 -179.795 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 107.08 82.06 1.46 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.474 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 28.6 mmtm -85.74 105.12 16.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.808 0.337 . . . . 0.0 110.88 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.417 ' CD ' ' O ' ' A' ' 9' ' ' ARG . 0.0 OUTLIER -92.03 20.84 5.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.895 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 43.5 mttt -79.69 143.48 58.76 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.629 0.728 . . . . 0.0 110.892 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 118.9 5.96 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.715 2.277 . . . . 0.0 112.347 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.466 HG22 ' N ' ' A' ' 13' ' ' ILE . 3.2 p -140.14 155.67 24.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.116 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.466 ' N ' HG22 ' A' ' 12' ' ' VAL . 19.2 mm -84.52 153.97 3.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.155 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.445 ' CG ' HD11 ' A' ' 22' ' ' ILE . 46.7 m-70 -119.35 83.43 2.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.839 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.411 ' O ' ' N ' ' A' ' 18' ' ' ASP . . . -48.97 164.54 0.35 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.473 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 76.0 mt -42.95 -46.6 5.47 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.768 0.318 . . . . 0.0 110.877 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -63.4 -32.59 74.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.88 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.411 ' N ' ' O ' ' A' ' 15' ' ' GLY . 8.5 m-20 -74.05 -33.96 63.9 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.407 ' O ' ' C ' ' A' ' 20' ' ' LYS . 22.4 mt-30 -64.06 -49.72 71.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.905 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.531 ' O ' HD22 ' A' ' 43' ' ' LEU . 31.2 tttt -37.39 -47.55 0.87 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.931 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.41 ' O ' ' N ' ' A' ' 24' ' ' THR . 5.5 tmm_? -67.15 -58.79 4.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.445 HD11 ' CG ' ' A' ' 14' ' ' HIS . 94.5 mt -40.44 -45.35 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.157 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.441 ' CG ' ' HB3' ' A' ' 116' ' ' PHE . 19.5 m-85 -70.08 -36.52 74.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.902 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.41 ' N ' ' O ' ' A' ' 21' ' ' ARG . 70.5 m -56.62 -66.54 0.42 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.154 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -48.64 -33.44 9.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.879 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.566 ' CZ2' ' HA ' ' A' ' 120' ' ' SER . 90.3 t90 -65.33 -51.86 57.71 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.926 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.718 ' HB2' ' CE1' ' A' ' 116' ' ' PHE . . . -68.19 -51.99 39.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.132 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.589 ' OD1' HD12 ' A' ' 40' ' ' ILE . 1.3 m-20 -46.85 -40.41 13.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.85 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -51.4 -36.73 44.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.84 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.491 ' HB2' HG23 ' A' ' 56' ' ' ILE . 71.8 m-85 -73.03 -19.51 61.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.94 -179.84 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.772 HD11 HD21 ' A' ' 52' ' ' LEU . 32.0 mt -84.29 -42.16 16.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.947 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -72.21 -28.08 62.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.129 179.77 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 3.4 ptmm? -73.85 -39.72 63.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.862 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 31.4 m -82.28 12.79 4.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.868 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 61.65 52.92 47.68 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.43 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.584 ' CD2' ' HB3' ' A' ' 38' ' ' ARG . 65.5 t60 -93.34 134.04 35.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.84 0.352 . . . . 0.0 110.835 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 22.7 mmtm -86.98 50.97 2.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.903 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.584 ' HB3' ' CD2' ' A' ' 36' ' ' HIS . 23.8 ttm180 -175.62 163.45 2.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.866 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 50.0 mt -137.41 -178.06 5.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.93 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.794 HD11 HD11 ' A' ' 56' ' ' ILE . 81.8 mt -104.18 111.56 34.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.152 179.817 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 3.3 tpp85 -86.19 -61.05 1.83 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.872 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.495 ' O ' ' N ' ' A' ' 46' ' ' ASP . 3.3 m-20 -115.1 107.59 15.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.852 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.571 HD11 ' CE2' ' A' ' 116' ' ' PHE . 13.2 tp -54.58 -39.88 68.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.918 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.572 ' CD ' HD13 ' A' ' 109' ' ' LEU . 32.7 mt-30 -76.11 -1.98 28.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 70.2 mt-30 -129.89 -1.65 4.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.903 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.708 ' OD1' HG13 ' A' ' 47' ' ' VAL . 0.4 OUTLIER -93.01 -16.23 25.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.833 179.948 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.708 HG13 ' OD1' ' A' ' 46' ' ' ASP . 18.0 m -118.02 34.09 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.085 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 37.7 p -92.71 -33.14 14.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.14 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -97.68 -10.77 24.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.896 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 70.16 -1.74 17.2 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.485 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 66.8 t -74.12 -69.39 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.814 0.34 . . . . 0.0 111.157 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.772 HD21 HD11 ' A' ' 31' ' ' LEU . 1.7 tt -56.29 -35.65 67.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.944 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.579 HD11 HD11 ' A' ' 57' ' ' ILE . 6.0 tp -52.52 -58.81 5.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.954 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -53.82 -46.73 71.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.1 179.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.509 ' O ' HG23 ' A' ' 59' ' ' VAL . 18.6 mt-30 -41.72 -28.04 0.13 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.92 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.794 HD11 HD11 ' A' ' 40' ' ' ILE . 17.4 mt -91.35 -48.45 13.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.167 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.579 HD11 HD11 ' A' ' 53' ' ' LEU . 62.7 mt -54.45 -55.9 12.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.116 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -48.69 -30.71 5.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.92 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.509 HG23 ' O ' ' A' ' 55' ' ' GLN . 89.5 t -76.61 -66.31 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.087 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 5.9 p -53.67 -26.86 14.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.134 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -97.22 -16.21 20.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.101 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 11.8 m-80 60.92 31.19 19.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.901 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -129.79 163.23 26.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.872 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 4.6 ttmt -113.13 136.54 52.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.904 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.443 ' CG2' HG12 ' A' ' 68' ' ' ILE . 19.4 mt -103.07 103.45 15.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.142 179.858 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -75.7 -12.38 60.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.862 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 29.6 m-20 -91.73 35.1 0.96 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.875 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.443 HG12 ' CG2' ' A' ' 65' ' ' ILE . 40.8 mm -114.4 126.39 71.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.133 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 56.9 t30 -57.85 -70.88 0.12 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.927 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 112.2 -46.39 1.18 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.518 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 8.8 m -133.96 81.64 51.26 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.629 0.728 . . . . 0.0 110.862 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 140.63 43.13 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.679 2.253 . . . . 0.0 112.368 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 71.4 mttt -129.81 -32.76 1.86 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.905 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -93.51 168.83 10.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.902 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -71.34 -28.88 64.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.904 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.426 ' O ' ' C ' ' A' ' 77' ' ' GLN . 82.9 p -90.11 -40.76 12.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.857 -179.802 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.426 ' C ' ' O ' ' A' ' 76' ' ' SER . 7.2 mm-40 -36.11 -40.96 0.23 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.903 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.408 ' O ' ' C ' ' A' ' 79' ' ' ILE . 20.2 mtt -62.81 -50.07 72.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.419 ' N ' ' O ' ' A' ' 76' ' ' SER . 36.0 mm -37.38 -54.72 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.104 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 39.6 mm-40 -52.12 -45.34 64.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.905 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -51.08 -63.32 1.17 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.883 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 17.5 mt -59.92 -38.53 76.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.145 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -57.4 -48.48 78.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.847 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -52.53 -41.94 63.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.129 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 58.7 m -65.18 -40.49 94.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.719 ' O ' HG21 ' A' ' 96' ' ' ILE . 34.7 mt -67.11 -45.72 76.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.914 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 69.2 m-80 -67.37 -35.12 78.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.898 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.461 ' CD1' ' C ' ' A' ' 88' ' ' PHE . 1.4 t80 -67.6 -42.84 81.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.879 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 30.0 mt -66.56 -40.36 88.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.9 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -53.23 -41.42 65.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.124 179.781 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -62.67 -9.8 10.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.089 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 51.3 mmtt -97.45 -13.05 22.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 110.3 21.81 6.77 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.494 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.667 HD11 ' HB2' ' A' ' 122' ' ' TYR . 64.0 mt -105.61 139.56 26.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.867 0.365 . . . . 0.0 111.14 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -79.04 121.41 24.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.82 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.719 HG21 ' O ' ' A' ' 86' ' ' LEU . 39.1 pt -118.13 -24.67 3.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.15 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -40.7 -50.51 3.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.895 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -56.42 -40.79 86.87 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.502 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 63.3 mt -66.04 165.17 13.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.808 0.337 . . . . 0.0 110.932 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 17.0 m -141.62 106.56 4.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.852 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -44.94 -44.25 9.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.137 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -58.85 -53.36 59.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.874 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -53.68 -50.55 65.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.85 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.426 HG22 ' O ' ' A' ' 47' ' ' VAL . 42.4 mt -52.08 -44.49 39.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.114 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 52.1 ttt-85 -56.96 -36.22 70.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.895 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 46.1 m-80 -73.38 -19.57 60.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.889 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 94.8 9.83 58.23 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.51 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . 0.636 ' O ' HD12 ' A' ' 112' ' ' ILE . 27.6 t-20 -52.69 107.28 0.21 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.905 0.384 . . . . 0.0 110.883 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.572 HD13 ' CD ' ' A' ' 44' ' ' GLN . 16.9 tp -45.5 -58.9 3.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.959 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 9.0 mmtp -42.76 -24.19 0.06 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 179.776 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . 0.454 ' HB3' ' O ' ' A' ' 108' ' ' ASN . . . -87.44 -61.4 1.73 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.141 179.833 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.676 ' H ' HD12 ' A' ' 112' ' ' ILE . 4.8 mp -48.45 -51.1 11.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.131 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 17.6 mt -52.48 -50.31 62.98 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -54.95 -31.96 55.79 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.501 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 1.029 HD23 ' N ' ' A' ' 116' ' ' PHE . 0.1 OUTLIER -71.8 -60.27 2.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.849 0.357 . . . . 0.0 110.933 -179.927 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 1.029 ' N ' HD23 ' A' ' 115' ' ' LEU . 10.8 m-85 -64.7 -19.77 65.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.922 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -72.11 -34.62 68.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.878 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 23.2 m -93.04 -46.66 7.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.859 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 11.3 tp -46.4 -58.01 4.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.938 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . 0.566 ' HA ' ' CZ2' ' A' ' 26' ' ' TRP . 28.2 t -45.59 -43.87 12.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.877 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 78.5 mtp180 -54.45 -50.73 67.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.822 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . 0.667 ' HB2' HD11 ' A' ' 94' ' ' ILE . 0.5 OUTLIER -46.35 -25.58 0.67 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.912 -179.803 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 15.0 tptp -97.47 -38.92 9.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.942 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -56.73 -15.61 4.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.968 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 55.6 mt-30 -108.86 -36.88 6.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.909 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 7.9 tm0? -48.06 -51.15 25.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.854 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -45.27 146.27 0.97 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.888 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 25.5 tt0 -116.61 132.81 23.17 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.607 0.717 . . . . 0.0 110.852 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo . . . . . 0 C--N 1.341 0.17 0 C-N-CA 122.672 2.248 . . . . 0.0 112.305 179.983 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.6 m -50.3 -57.27 8.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.905 0.383 . . . . 0.0 110.897 -179.772 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.0 t -52.28 168.67 0.09 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.873 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 171.44 -166.05 39.07 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.528 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.3 m -108.09 46.02 0.98 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.899 0.38 . . . . 0.0 110.896 -179.762 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 87.1 p -85.82 148.62 25.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.851 -179.775 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -153.74 -127.61 1.19 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.469 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.488 ' N ' ' HE2' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -161.89 172.99 15.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.78 0.324 . . . . 0.0 110.915 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 22.2 mtp180 -107.56 119.84 40.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.914 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 40.4 mttm -122.56 156.64 61.02 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-O 121.606 0.717 . . . . 0.0 110.907 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 113.79 3.49 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.678 2.252 . . . . 0.0 112.331 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 8.5 p -163.3 153.61 2.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.131 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 40.5 mm -102.28 138.88 24.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.124 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.5 ' CG ' HD11 ' A' ' 22' ' ' ILE . 86.8 m-70 -115.19 79.92 1.35 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.834 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.404 ' O ' ' C ' ' A' ' 16' ' ' LEU . . . -44.02 167.51 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.501 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.404 ' C ' ' O ' ' A' ' 15' ' ' GLY . 69.3 mt -38.1 -61.22 0.68 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.753 0.311 . . . . 0.0 110.921 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -51.42 -37.48 48.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.916 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.439 ' HB2' ' C ' ' A' ' 14' ' ' HIS . 1.6 m-20 -70.74 -34.94 72.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.852 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.444 ' HA ' HD12 ' A' ' 22' ' ' ILE . 31.4 mt-30 -61.43 -43.13 99.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.954 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 22.1 tttt -44.63 -23.16 0.11 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.924 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 4.3 tpt180 -86.4 -45.71 10.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.867 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.5 HD11 ' CG ' ' A' ' 14' ' ' HIS . 50.7 mt -56.23 -46.7 81.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.114 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.447 ' CD1' ' HB3' ' A' ' 116' ' ' PHE . 24.1 m-85 -65.57 -31.59 72.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.972 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.481 ' O ' ' ND2' ' A' ' 28' ' ' ASN . 54.9 m -62.53 -47.47 83.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.128 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 43.2 t0 -65.15 -36.51 84.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 64.6 t90 -56.57 -59.0 5.65 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.925 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.669 ' HB1' HD13 ' A' ' 56' ' ' ILE . . . -61.29 -47.71 84.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.135 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.481 ' ND2' ' O ' ' A' ' 24' ' ' THR . 1.1 m-80 -38.1 -35.71 0.17 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -62.42 -57.45 11.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.842 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.529 ' CE1' ' HA ' ' A' ' 60' ' ' VAL . 87.2 m-85 -54.21 -32.93 57.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.943 -179.828 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.517 HD11 HD21 ' A' ' 52' ' ' LEU . 12.6 mt -71.67 -53.99 11.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.945 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -57.25 -54.62 44.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.115 179.793 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.33 -34.89 35.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.912 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.4 t -75.36 -21.78 58.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.862 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.43 ' O ' ' C ' ' A' ' 36' ' ' HIS . . . 118.78 -30.06 6.06 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.449 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.463 ' CG ' HD22 ' A' ' 31' ' ' LEU . 5.5 m-70 -35.23 128.94 0.52 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.816 0.341 . . . . 0.0 110.887 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 4.2 mmmm -86.76 -28.76 22.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.883 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.437 ' HG2' ' N ' ' A' ' 39' ' ' LEU . 27.3 ttm180 -85.59 155.62 21.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.867 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.437 ' N ' ' HG2' ' A' ' 38' ' ' ARG . 34.7 mt -125.55 -175.39 3.31 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.937 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.711 HG23 ' CG ' ' A' ' 46' ' ' ASP . 73.2 mt -97.13 113.09 30.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.121 179.824 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 11.7 mmm-85 -88.49 -61.11 1.78 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.904 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.486 ' O ' ' N ' ' A' ' 46' ' ' ASP . 1.8 m-20 -113.78 100.07 8.17 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.69 HD11 ' CE2' ' A' ' 116' ' ' PHE . 11.8 tp -49.91 -38.26 35.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.907 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.42 ' HG2' HD13 ' A' ' 112' ' ' ILE . 57.4 mt-30 -72.81 -22.43 60.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.921 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -113.5 9.49 18.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.912 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.711 ' CG ' HG23 ' A' ' 40' ' ' ILE . 1.4 m-20 -102.51 -33.74 9.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.847 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.486 HG22 ' O ' ' A' ' 43' ' ' LEU . 27.2 m -101.15 29.06 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.112 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 33.9 p -87.35 -35.6 18.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.175 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -90.15 -18.29 26.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.856 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 79.33 -14.4 16.41 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.494 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 63.5 t -68.11 -70.12 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.823 0.344 . . . . 0.0 111.162 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.582 ' O ' HD23 ' A' ' 52' ' ' LEU . 1.6 tt -51.04 -30.69 16.26 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.948 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.61 HD11 HD11 ' A' ' 57' ' ' ILE . 2.8 tp -61.26 -50.36 73.34 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.423 ' O ' ' N ' ' A' ' 56' ' ' ILE . . . -61.78 -46.52 89.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.074 179.827 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.443 ' NE2' ' CE1' ' A' ' 36' ' ' HIS . 14.0 mt-30 -38.06 -31.09 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.942 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.706 HD11 HD11 ' A' ' 40' ' ' ILE . 12.9 mt -88.97 -56.04 5.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.124 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.61 HD11 HD11 ' A' ' 53' ' ' LEU . 60.5 mt -43.53 -63.43 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.133 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.503 ' O ' ' N ' ' A' ' 62' ' ' ASN . 32.1 mt-30 -39.43 -41.89 1.02 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 59.4 t -69.68 -67.4 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.09 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.529 ' HA ' ' CE1' ' A' ' 30' ' ' TYR . 3.5 p -49.68 -22.63 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.146 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -101.83 -22.56 14.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.063 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.503 ' N ' ' O ' ' A' ' 58' ' ' GLN . 4.4 m120 69.03 39.71 1.73 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.894 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -149.66 160.24 43.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.898 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 15.8 tttt -109.1 138.04 46.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.907 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.544 HG22 ' H ' ' A' ' 67' ' ' ASP . 13.9 mt -93.97 115.01 31.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.139 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -84.53 0.42 49.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.918 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.544 ' H ' HG22 ' A' ' 65' ' ' ILE . 0.4 OUTLIER -107.87 37.8 2.35 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.921 179.946 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 36.7 mm -114.12 122.96 69.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.167 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -54.23 -59.27 4.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 104.18 -54.68 0.64 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.465 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 52.0 t -124.12 77.2 59.78 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 121.614 0.721 . . . . 0.0 110.905 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.411 ' HB2' ' CG ' ' A' ' 78' ' ' MET . 54.0 Cg_endo -69.72 98.62 0.69 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.647 2.231 . . . . 0.0 112.398 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 58.1 mmtt -91.49 -52.08 4.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.895 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.442 ' HB2' ' CG ' ' A' ' 77' ' ' GLN . 2.5 m120 -63.79 168.06 5.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.918 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 7.8 tmm_? -75.05 -36.0 61.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.923 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 59.0 p -84.65 -31.48 24.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.881 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.442 ' CG ' ' HB2' ' A' ' 74' ' ' ASN . 13.2 mm-40 -47.96 -40.16 21.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.952 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.411 ' CG ' ' HB2' ' A' ' 72' ' ' PRO . 20.6 mtt -59.08 -43.07 91.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.892 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 32.0 mm -47.9 -53.16 5.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.163 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 64.0 mt-10 -47.62 -51.98 19.51 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -41.8 -72.61 0.06 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.855 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 20.8 mt -49.57 -40.53 15.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.104 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.418 ' HA ' HD12 ' A' ' 86' ' ' LEU . 8.7 t0 -56.72 -45.24 82.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 179.839 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.429 ' HB1' ' OD2' ' A' ' 67' ' ' ASP . . . -51.96 -50.93 60.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.068 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 41.4 m -56.95 -42.95 81.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.871 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.642 ' O ' HG21 ' A' ' 96' ' ' ILE . 63.9 mt -59.68 -43.68 93.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 -179.844 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 67.5 m-80 -70.81 -39.64 72.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.885 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 10.8 t80 -66.2 -42.81 88.3 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.868 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.646 HD22 HD12 ' A' ' 94' ' ' ILE . 27.2 mt -68.13 -40.74 82.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.947 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -54.45 -41.52 69.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.081 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -61.27 -21.6 64.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.107 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 35.0 mmtt -87.77 -13.31 42.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.859 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 108.49 29.35 4.22 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.46 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.799 HD11 ' HB2' ' A' ' 122' ' ' TYR . 71.3 mt -111.8 123.06 67.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.829 0.347 . . . . 0.0 111.108 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 10.3 t30 -61.21 132.47 53.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.892 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.642 HG21 ' O ' ' A' ' 86' ' ' LEU . 21.4 pt -128.56 -29.31 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.101 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.441 ' C ' ' O ' ' A' ' 96' ' ' ILE . 33.9 mm-40 -34.51 -51.78 0.48 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.933 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -57.93 -44.7 94.34 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.499 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.418 ' N ' ' O ' ' A' ' 96' ' ' ILE . 52.4 mt -64.46 146.59 54.29 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.829 0.347 . . . . 0.0 110.96 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 4.0 m -128.94 110.74 12.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.863 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -44.11 -50.78 8.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.088 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -52.42 -58.2 7.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.846 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 22.3 mm-40 -52.93 -46.95 68.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.705 HG12 ' HB1' ' A' ' 111' ' ' ALA . 32.3 mt -58.89 -41.64 83.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.143 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 14.7 ttt-85 -66.87 -24.69 66.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 34.1 m-20 -83.42 -21.91 32.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.869 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 104.84 8.2 37.32 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.473 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . 0.703 ' O ' HD12 ' A' ' 112' ' ' ILE . 7.4 t30 -54.23 99.35 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.88 0.372 . . . . 0.0 110.893 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 12.3 tp -38.47 -58.64 1.0 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.918 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 2.3 mptt -39.35 -44.17 1.28 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.849 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . 0.705 ' HB1' HG12 ' A' ' 104' ' ' ILE . . . -66.84 -58.55 4.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.088 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.727 ' H ' HD12 ' A' ' 112' ' ' ILE . 5.3 mp -52.47 -63.33 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.144 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 19.0 mt -47.08 -48.06 22.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -57.39 -34.62 68.78 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.484 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 1.031 HD23 ' N ' ' A' ' 116' ' ' PHE . 0.2 OUTLIER -69.24 -62.53 1.34 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.848 0.356 . . . . 0.0 110.909 -179.956 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 1.031 ' N ' HD23 ' A' ' 115' ' ' LEU . 10.6 m-85 -59.52 -11.17 4.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.86 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . 0.492 ' CD1' ' C ' ' A' ' 117' ' ' PHE . 3.3 t80 -85.38 -34.32 21.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.878 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 1.5 p -92.94 -29.43 15.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.885 -179.8 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 11.9 tp -65.46 -54.11 33.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.907 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 29.9 p -50.1 -27.62 5.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 44.8 mtp180 -64.29 -50.4 68.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.865 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . 0.799 ' HB2' HD11 ' A' ' 94' ' ' ILE . 9.8 t80 -40.22 -55.63 2.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.931 -179.851 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . 0.433 ' O ' ' C ' ' A' ' 124' ' ' GLN . 14.5 tptp -70.4 -54.06 13.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.869 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . 0.433 ' C ' ' O ' ' A' ' 123' ' ' LYS . 33.0 mt-30 -35.99 -54.91 0.77 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.874 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . 0.444 ' O ' ' N ' ' A' ' 127' ' ' GLN . 64.8 tp60 -48.05 -47.86 33.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.942 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 21.0 mt-30 -62.86 75.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.837 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . 0.444 ' N ' ' O ' ' A' ' 125' ' ' GLN . 82.1 mt-30 -95.54 117.18 29.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 2.7 tp-100 -83.75 132.83 47.7 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.585 0.707 . . . . 0.0 110.928 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.231 0.17 0 C-N-CA 122.701 2.268 . . . . 0.0 112.329 -179.978 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.5 p -137.9 124.08 20.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.946 0.403 . . . . 0.0 110.815 -179.758 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.2 m -102.84 135.04 45.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.91 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -177.41 -171.01 40.47 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.448 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 t -157.78 119.15 3.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.876 0.37 . . . . 0.0 110.863 -179.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.9 t -90.37 -51.86 5.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.844 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 129.22 97.03 0.83 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.45 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.6 mptt -96.55 140.53 31.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.812 0.339 . . . . 0.0 110.85 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 10.4 ptm180 -86.18 17.5 3.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.857 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 23.9 mttp -87.77 153.83 52.69 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.602 0.715 . . . . 0.0 110.907 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 124.79 11.46 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.699 2.266 . . . . 0.0 112.37 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 58.9 t -60.12 127.63 19.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.108 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.0 mm -110.83 150.21 13.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.159 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 4.9 m80 -119.52 53.75 1.03 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.496 ' O ' ' N ' ' A' ' 18' ' ' ASP . . . -69.24 151.09 50.8 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.473 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.607 ' O ' HD11 ' A' ' 113' ' ' LEU . 88.8 mt -39.1 -33.35 0.12 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.764 0.316 . . . . 0.0 110.947 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -81.62 -37.56 27.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.925 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.496 ' N ' ' O ' ' A' ' 15' ' ' GLY . 6.7 m-20 -67.78 -44.91 76.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.866 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.438 ' HB2' HD22 ' A' ' 113' ' ' LEU . 15.5 mt-30 -56.85 -38.27 72.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 28.2 tttt -52.02 -27.48 13.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.846 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 8.0 tpp85 -89.04 -46.51 8.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.908 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 92.7 mt -49.33 -50.24 16.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.183 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.537 ' CG ' ' HB3' ' A' ' 116' ' ' PHE . 23.8 m-85 -63.57 -39.12 93.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.886 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.549 HG23 ' HB ' ' A' ' 40' ' ' ILE . 90.1 m -54.28 -44.82 72.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.112 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -69.15 -40.35 78.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 59.1 t90 -53.42 -51.04 63.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.93 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.523 ' HB1' HD13 ' A' ' 56' ' ' ILE . . . -68.19 -41.74 80.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.108 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.602 ' OD1' HD22 ' A' ' 39' ' ' LEU . 1.4 m-80 -45.73 -31.93 2.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 24.1 t60 -69.89 -40.12 75.84 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.857 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 60.8 m-85 -73.79 -25.84 60.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.917 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 19.8 mt -84.56 -42.41 15.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.956 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -70.26 -34.49 72.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.105 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.6 ptmm? -68.62 -36.77 79.08 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.869 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.6 t -83.23 20.11 1.35 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.834 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 53.54 61.46 7.01 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.463 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.425 ' CE1' HE22 ' A' ' 55' ' ' GLN . 12.4 t-80 -107.79 125.18 51.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.914 0.387 . . . . 0.0 110.832 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.93 47.82 1.15 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 18.7 ttt180 -167.3 148.84 5.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.87 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.602 HD22 ' OD1' ' A' ' 28' ' ' ASN . 29.3 mt -127.72 -177.51 4.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.938 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.689 HD11 HD11 ' A' ' 56' ' ' ILE . 65.5 mt -106.14 114.92 46.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.099 179.826 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 67.3 mtt180 -95.77 -58.72 2.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.494 ' O ' ' N ' ' A' ' 46' ' ' ASP . 0.4 OUTLIER -113.42 101.38 9.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.891 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.698 HD11 ' CE2' ' A' ' 116' ' ' PHE . 12.7 tp -50.93 -38.65 51.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.911 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.52 ' NE2' HD13 ' A' ' 109' ' ' LEU . 30.0 mt-30 -68.8 -38.94 80.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.9 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.408 ' HB2' ' CG ' ' A' ' 42' ' ' ASP . 10.9 mt-30 -99.11 10.9 40.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.946 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.614 ' CG ' HG23 ' A' ' 40' ' ' ILE . 2.8 m-20 -101.33 -28.31 12.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.426 HG12 ' HB2' ' A' ' 53' ' ' LEU . 23.4 m -110.67 34.55 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.146 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.414 HG22 ' O ' ' A' ' 105' ' ' ARG . 22.9 p -89.39 -34.83 16.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.104 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -96.49 -16.76 20.96 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.835 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 79.83 -14.52 18.94 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.48 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 97.1 t -61.03 -70.54 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.877 0.37 . . . . 0.0 111.139 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.539 ' O ' HD23 ' A' ' 52' ' ' LEU . 1.6 tt -54.17 -34.57 60.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.97 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.74 HD11 HD11 ' A' ' 57' ' ' ILE . 2.3 tp -58.68 -48.45 81.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.938 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.38 -39.57 94.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.075 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.455 ' O ' HG23 ' A' ' 59' ' ' VAL . 24.2 mt-30 -46.6 -23.95 0.47 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.924 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.689 HD11 HD11 ' A' ' 40' ' ' ILE . 10.6 mt -95.12 -53.39 8.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.104 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.74 HD11 HD11 ' A' ' 53' ' ' LEU . 67.2 mt -48.58 -51.77 10.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.151 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -56.54 -22.45 33.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.455 HG23 ' O ' ' A' ' 55' ' ' GLN . 85.6 t -88.08 -59.74 2.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.103 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 6.3 p -59.31 -27.08 35.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.135 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -99.24 -14.17 19.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.142 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 8.5 m120 58.63 48.15 12.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.936 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -147.06 160.56 42.25 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 19.7 ttpt -110.38 130.09 55.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.917 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.45 HG12 ' CD2' ' A' ' 88' ' ' PHE . 31.8 mt -94.64 103.16 14.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.138 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -72.94 -13.27 61.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.452 ' O ' ' CB ' ' A' ' 84' ' ' ALA . 28.9 m-20 -92.11 36.16 0.98 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.844 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.444 HG12 ' CG2' ' A' ' 65' ' ' ILE . 35.4 mm -114.06 132.5 62.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.085 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.438 ' ND2' ' HA ' ' A' ' 72' ' ' PRO . 51.9 t30 -64.14 -52.47 58.92 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.918 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 93.63 -49.43 2.32 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.478 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 36.2 m -134.08 82.91 47.03 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.602 0.715 . . . . 0.0 110.874 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.438 ' HA ' ' ND2' ' A' ' 69' ' ' ASN . 54.0 Cg_endo -69.74 138.63 38.34 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.703 2.269 . . . . 0.0 112.38 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 68.9 mttt -115.57 -47.14 2.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.925 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.416 ' O ' ' C ' ' A' ' 75' ' ' ARG . 28.7 t-20 -101.07 139.98 36.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.873 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.416 ' C ' ' O ' ' A' ' 74' ' ' ASN . 5.4 mmt-85 -35.73 -46.65 0.45 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.847 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.448 ' O ' ' N ' ' A' ' 79' ' ' ILE . 9.7 p -60.61 -48.31 82.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.859 -179.779 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.412 ' N ' ' O ' ' A' ' 74' ' ' ASN . 15.2 mm100 -43.51 -22.84 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.932 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.413 ' N ' ' O ' ' A' ' 76' ' ' SER . 8.7 mtt -79.83 -38.14 33.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.857 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.472 ' CD1' ' HD3' ' A' ' 105' ' ' ARG . 3.5 mm -49.67 -50.28 18.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.107 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -54.35 -53.4 54.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.864 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -40.56 -68.71 0.16 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 24.6 mt -53.64 -40.07 40.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.163 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -54.65 -51.99 63.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.828 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.452 ' CB ' ' O ' ' A' ' 67' ' ' ASP . . . -54.19 -44.68 71.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.095 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 71.9 m -59.18 -39.4 82.4 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.878 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 87.9 mt -64.62 -55.47 20.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 70.0 m-80 -59.77 -31.12 69.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.597 ' CD1' ' C ' ' A' ' 88' ' ' PHE . 0.5 OUTLIER -71.84 -40.68 68.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.896 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.4 HD22 ' CD1' ' A' ' 94' ' ' ILE . 57.8 mt -68.41 -40.07 81.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.92 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -54.7 -37.68 66.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.069 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -65.29 -20.05 66.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.071 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.504 ' HB3' ' CE1' ' A' ' 122' ' ' TYR . 41.5 mmtt -90.18 -17.41 27.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.881 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 111.54 37.21 1.63 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.489 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.686 HD11 ' HB2' ' A' ' 122' ' ' TYR . 71.0 mt -120.04 135.21 61.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.838 0.351 . . . . 0.0 111.109 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -71.62 129.52 38.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.443 ' O ' ' C ' ' A' ' 97' ' ' GLN . 37.2 pt -128.32 -28.65 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.145 179.856 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.443 ' C ' ' O ' ' A' ' 96' ' ' ILE . 59.1 mt-30 -34.5 -51.18 0.46 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.92 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -61.85 -42.4 99.74 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.527 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.442 ' N ' ' O ' ' A' ' 96' ' ' ILE . 51.6 mt -68.4 137.44 54.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.791 0.329 . . . . 0.0 110.931 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.447 ' CB ' ' HG3' ' A' ' 103' ' ' GLU . 1.1 m -121.64 123.0 40.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.874 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -51.95 -46.53 64.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.099 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -56.71 -42.37 79.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.901 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.447 ' HG3' ' CB ' ' A' ' 100' ' ' SER . 18.0 mt-10 -71.01 -43.53 67.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.881 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 73.1 mt -63.74 -37.84 80.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.121 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.472 ' HD3' ' CD1' ' A' ' 79' ' ' ILE . 14.5 ttt-85 -67.49 -38.12 83.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.931 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 22.5 m-80 -66.57 -27.98 68.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.904 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 100.1 30.02 6.54 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.487 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . 0.712 ' O ' HD12 ' A' ' 112' ' ' ILE . 27.8 t30 -74.17 102.91 4.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.868 0.366 . . . . 0.0 110.917 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.52 HD13 ' NE2' ' A' ' 44' ' ' GLN . 8.5 tp -35.9 -52.44 0.73 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.931 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 13.3 mmtp -51.21 -41.95 60.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.885 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . 0.479 ' N ' ' O ' ' A' ' 108' ' ' ASN . . . -68.92 -56.02 9.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.116 179.813 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.712 HD12 ' O ' ' A' ' 108' ' ' ASN . 5.3 mp -53.61 -65.9 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.137 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.607 HD11 ' O ' ' A' ' 16' ' ' LEU . 58.4 mt -39.16 -41.47 0.84 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.917 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -59.71 -40.16 96.19 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.463 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 1.034 HD23 ' N ' ' A' ' 116' ' ' PHE . 0.2 OUTLIER -64.57 -60.98 2.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.861 0.363 . . . . 0.0 110.904 -179.883 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 1.034 ' N ' HD23 ' A' ' 115' ' ' LEU . 12.0 m-85 -63.41 -12.49 31.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.867 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . 0.486 ' CD1' ' C ' ' A' ' 117' ' ' PHE . 3.5 t80 -79.68 -36.93 36.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.842 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . 0.444 ' OG ' ' CG2' ' A' ' 94' ' ' ILE . 7.9 p -93.0 -37.67 12.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.824 -179.771 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 9.4 tp -54.94 -47.95 73.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.927 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 89.2 p -56.62 -37.35 70.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.833 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 47.1 mtp85 -59.09 -46.61 87.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.862 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . 0.686 ' HB2' HD11 ' A' ' 94' ' ' ILE . 9.6 t80 -42.74 -56.04 3.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 -179.871 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . 0.436 ' O ' ' C ' ' A' ' 124' ' ' GLN . 11.3 tptp -74.17 -53.58 9.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.889 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . 0.436 ' C ' ' O ' ' A' ' 123' ' ' LYS . 73.3 mt-30 -34.47 -41.75 0.13 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.927 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -75.11 -54.11 7.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.908 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 18.6 mm-40 -77.49 85.54 3.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.927 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -156.12 150.18 25.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.901 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 16.0 mp0 -64.33 144.73 98.46 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.628 0.728 . . . . 0.0 110.913 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--N 1.341 0.168 0 C-N-CA 122.693 2.262 . . . . 0.0 112.372 179.99 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.454 -0.258 . . . . 0.0 112.454 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.3 p -129.13 -44.21 1.29 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.912 0.387 . . . . 0.0 110.867 -179.723 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.5 t -161.03 163.14 31.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.861 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 112.25 -120.96 5.49 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.483 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.4 m -92.16 113.27 25.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.926 0.393 . . . . 0.0 110.834 -179.763 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.9 p -106.78 -47.37 3.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.872 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 95.14 69.93 1.06 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.485 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.7 ttmp? -108.2 135.88 48.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.738 0.304 . . . . 0.0 110.91 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 15.8 ptp180 -84.76 104.47 14.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.812 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 19.2 ttmt -141.41 140.23 20.27 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.567 0.699 . . . . 0.0 110.905 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 109.16 2.24 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.617 2.211 . . . . 0.0 112.323 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 4.2 p -127.87 137.61 57.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.096 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.2 mp -89.03 -30.06 5.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.165 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.999 ' CG ' HD11 ' A' ' 22' ' ' ILE . 12.7 m-70 60.0 49.5 7.57 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.891 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.473 ' N ' ' HB2' ' A' ' 18' ' ' ASP . . . -38.08 158.13 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.498 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.431 ' C ' ' O ' ' A' ' 15' ' ' GLY . 15.3 mt -35.34 -56.66 0.62 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.761 0.315 . . . . 0.0 110.949 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.42 ' HA ' HD21 ' A' ' 109' ' ' LEU . 4.6 mp0 -62.16 -41.24 98.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.849 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.473 ' HB2' ' N ' ' A' ' 15' ' ' GLY . 1.1 m-20 -61.73 -31.33 71.49 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.833 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.857 ' HA ' HD12 ' A' ' 22' ' ' ILE . 26.8 mt-30 -64.29 -42.24 96.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.848 -179.856 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.628 ' HB2' HD11 ' A' ' 109' ' ' LEU . 47.3 tttt -46.35 -42.19 14.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.913 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 18.2 ttm-85 -64.73 -54.35 32.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.892 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.999 HD11 ' CG ' ' A' ' 14' ' ' HIS . 39.1 mt -40.97 -52.4 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.135 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.568 ' HB2' HD22 ' A' ' 43' ' ' LEU . 30.0 m-85 -68.59 -49.0 62.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.92 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 51.9 m -41.45 -49.16 3.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.181 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -73.32 -37.46 66.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.887 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 86.4 t90 -56.97 -42.07 79.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.94 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.851 ' HB1' HG12 ' A' ' 56' ' ' ILE . . . -71.06 -40.54 71.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.119 179.851 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.859 ' OD1' HD22 ' A' ' 39' ' ' LEU . 2.0 m-80 -49.85 -47.1 51.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.914 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -46.2 -38.0 7.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.822 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.469 ' HA ' ' CD ' ' A' ' 33' ' ' LYS . 96.0 m-85 -79.54 -22.7 43.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.895 -179.847 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.894 HD22 ' CD2' ' A' ' 36' ' ' HIS . 14.2 mt -79.4 -57.24 3.8 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.887 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -57.84 -48.7 79.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.087 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.469 ' CD ' ' HA ' ' A' ' 30' ' ' TYR . 16.4 ptmt -50.35 -37.14 35.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 19.5 m -91.76 33.06 1.05 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.852 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 46.58 59.98 5.05 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.475 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.894 ' CD2' HD22 ' A' ' 31' ' ' LEU . 81.5 t60 -121.19 87.19 2.71 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.882 0.373 . . . . 0.0 110.875 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 36' ' ' HIS . 1.2 mmmm -38.25 -74.78 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.927 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 21.5 ttm180 -38.35 150.21 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.889 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.859 HD22 ' OD1' ' A' ' 28' ' ' ASN . 52.7 mt -131.54 -178.93 5.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.927 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.459 HD11 HD11 ' A' ' 56' ' ' ILE . 80.3 mt -99.12 117.16 43.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.155 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 55.9 mtm180 -88.43 -63.03 1.36 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.86 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.47 ' O ' ' N ' ' A' ' 45' ' ' GLN . 72.4 m-20 -114.93 98.28 6.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.855 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 1.054 HD11 ' CE2' ' A' ' 116' ' ' PHE . 16.9 tp -40.99 -25.03 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.441 ' N ' ' O ' ' A' ' 42' ' ' ASP . 26.1 mt-30 -77.14 -40.64 44.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.921 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.678 ' HA ' HG23 ' A' ' 48' ' ' THR . 54.4 mm-40 -83.57 -47.58 11.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.922 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.944 ' OD1' HG13 ' A' ' 47' ' ' VAL . 0.5 OUTLIER -48.66 -19.02 0.31 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.836 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.944 HG13 ' OD1' ' A' ' 46' ' ' ASP . 18.5 m -115.35 39.67 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.097 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.678 HG23 ' HA ' ' A' ' 45' ' ' GLN . 14.3 p -97.5 -30.24 13.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.122 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.463 ' O ' ' CB ' ' A' ' 81' ' ' ASN . 0.9 OUTLIER -104.07 -16.22 15.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.883 179.898 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 82.88 -17.17 23.18 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.536 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 93.3 t -64.74 -59.21 4.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.805 0.336 . . . . 0.0 111.131 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.619 HD13 ' HB2' ' A' ' 46' ' ' ASP . 1.2 tt -62.61 -34.03 76.2 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.957 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.699 HD11 HD11 ' A' ' 57' ' ' ILE . 1.4 tp -58.81 -47.25 85.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.959 179.826 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.487 ' O ' ' N ' ' A' ' 56' ' ' ILE . . . -64.59 -43.05 95.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.131 179.761 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.508 ' O ' HG23 ' A' ' 59' ' ' VAL . 20.0 mt-30 -36.69 -29.57 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.915 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.851 HG12 ' HB1' ' A' ' 27' ' ' ALA . 4.8 mp -92.3 -50.89 12.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.144 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.699 HD11 HD11 ' A' ' 53' ' ' LEU . 72.7 mt -50.47 -55.31 6.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.139 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 -52.33 -31.81 35.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.984 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.508 HG23 ' O ' ' A' ' 55' ' ' GLN . 76.7 t -76.42 -68.45 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.126 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.427 ' CG2' ' HD3' ' A' ' 123' ' ' LYS . 11.9 p -51.68 -31.63 13.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.082 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -89.77 -15.14 33.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.134 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 72.9 m-20 59.46 33.6 22.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.837 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -137.58 162.67 33.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.89 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 18.5 ttpp -111.27 137.06 49.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.89 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.462 ' HB ' ' CG1' ' A' ' 68' ' ' ILE . 18.2 mt -97.25 117.39 41.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.15 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -81.83 -18.19 44.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.509 ' O ' ' HB2' ' A' ' 84' ' ' ALA . 11.8 m-20 -86.82 36.74 0.73 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.855 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.462 ' CG1' ' HB ' ' A' ' 65' ' ' ILE . 36.3 mm -113.35 103.35 15.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.119 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 64.3 t30 -40.47 -47.34 2.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.855 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 99.54 -57.82 0.84 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.524 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 6.9 t -130.64 82.4 64.92 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.595 0.712 . . . . 0.0 110.907 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 119.25 6.23 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.674 2.249 . . . . 0.0 112.356 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 37.9 mttp -105.35 -50.76 3.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.883 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.464 ' HB2' ' CG ' ' A' ' 77' ' ' GLN . 10.4 m-20 -71.74 165.6 23.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.871 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -65.63 -48.22 72.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.907 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 3.9 m -71.61 -34.13 69.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.896 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.464 ' CG ' ' HB2' ' A' ' 74' ' ' ASN . 6.6 mm100 -42.91 -49.53 5.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.952 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 13.0 mtt -53.06 -47.73 68.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.861 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 49.4 mm -38.35 -62.06 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.153 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.422 ' O ' ' C ' ' A' ' 81' ' ' ASN . 11.4 mt-10 -38.48 -57.79 1.1 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.463 ' CB ' ' O ' ' A' ' 49' ' ' ASP . 2.4 m120 -36.56 -70.18 0.1 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.864 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 27.8 mt -52.4 -40.7 33.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.144 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -53.58 -48.11 69.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.849 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.509 ' HB2' ' O ' ' A' ' 67' ' ' ASP . . . -52.3 -51.12 60.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.082 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 38.6 m -54.49 -45.75 73.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.927 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 60.1 mt -57.43 -53.66 55.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 70.1 m-80 -63.26 -36.25 83.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.893 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.472 ' CZ ' ' HE3' ' A' ' 92' ' ' LYS . 16.7 t80 -62.38 -45.55 92.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.655 HD21 HD13 ' A' ' 119' ' ' LEU . 75.6 mt -61.63 -51.61 67.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.931 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -46.81 -51.95 15.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.097 179.779 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -54.83 -31.68 59.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.128 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.472 ' HE3' ' CZ ' ' A' ' 88' ' ' PHE . 70.0 mmtt -76.09 -17.48 59.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.904 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 109.7 38.21 1.77 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.486 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.764 HD11 ' HB2' ' A' ' 122' ' ' TYR . 70.3 mt -122.29 123.01 67.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.784 0.326 . . . . 0.0 111.144 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 -66.32 115.5 6.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 32.0 pt -108.89 -25.94 3.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.116 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 13.5 mt-30 -37.85 116.46 0.5 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.937 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 126.38 -36.54 2.66 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.514 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 71.5 mt -65.42 176.31 1.46 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.816 0.341 . . . . 0.0 110.914 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 18.1 m -152.41 107.87 3.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.856 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -47.6 -43.79 25.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.089 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -57.98 -54.42 47.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.927 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 38.1 mm-40 -51.91 -46.32 64.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.888 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.424 HG22 ' O ' ' A' ' 47' ' ' VAL . 23.6 mt -57.84 -43.77 84.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.135 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 16.0 ttt-85 -63.59 -23.36 67.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.846 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 -85.19 -18.68 33.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 91.78 33.24 7.99 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.535 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . 0.673 ' O ' HD12 ' A' ' 112' ' ' ILE . 25.4 t-20 -77.45 97.91 5.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.83 0.348 . . . . 0.0 110.874 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.628 HD11 ' HB2' ' A' ' 20' ' ' LYS . 9.8 tp -37.09 -63.26 0.44 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.926 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 2.8 mmmp? -40.15 -38.83 0.81 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 179.804 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . 0.404 ' N ' ' O ' ' A' ' 108' ' ' ASN . . . -71.26 -63.75 1.05 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.115 179.845 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.689 ' H ' HD12 ' A' ' 112' ' ' ILE . 5.2 mp -47.83 -63.21 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.14 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.43 ' C ' ' O ' ' A' ' 112' ' ' ILE . 67.2 mt -35.3 -49.54 0.51 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.938 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -54.29 -52.47 44.04 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.487 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.926 HD23 ' N ' ' A' ' 116' ' ' PHE . 0.1 OUTLIER -52.23 -55.49 20.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.849 0.357 . . . . 0.0 110.917 -179.936 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 1.054 ' CE2' HD11 ' A' ' 43' ' ' LEU . 10.6 m-85 -66.73 -19.21 65.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 12.4 t80 -73.84 -34.22 64.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.868 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 33.5 p -92.77 -40.54 10.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.867 -179.787 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.655 HD13 HD21 ' A' ' 89' ' ' LEU . 15.9 tp -57.44 -48.27 79.59 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.897 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 6.4 t -52.79 -37.0 59.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.841 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 51.6 mtp180 -61.94 -50.39 72.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.841 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . 0.764 ' HB2' HD11 ' A' ' 94' ' ' ILE . 0.1 OUTLIER -43.98 -33.59 1.45 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 -179.853 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . 0.427 ' HD3' ' CG2' ' A' ' 60' ' ' VAL . 15.9 tptp -73.93 -48.29 31.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.927 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -76.58 6.96 5.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.926 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -104.01 -49.75 3.55 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.888 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -60.9 -12.27 10.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.898 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -58.83 154.11 15.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.943 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 6.2 pm0 -87.25 143.95 35.33 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.568 0.699 . . . . 0.0 110.949 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--N 1.341 0.175 0 C-N-CA 122.685 2.256 . . . . 0.0 112.38 179.979 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 40.3 m -110.69 84.02 1.86 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.91 0.386 . . . . 0.0 110.87 -179.752 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.0 t -114.41 160.49 19.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.825 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -166.47 47.52 0.26 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.521 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.2 m -125.7 139.76 53.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.838 0.352 . . . . 0.0 110.892 -179.713 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.1 m -154.83 176.96 11.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.824 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 137.45 -102.28 0.37 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.502 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 75.6 mttt -109.72 136.2 49.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.762 0.315 . . . . 0.0 110.898 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 53.1 mtt-85 -135.18 107.52 7.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.892 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.9 mtmp? -61.52 147.6 87.86 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.576 0.703 . . . . 0.0 110.94 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 128.6 16.3 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.711 2.274 . . . . 0.0 112.322 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.4 p -137.13 148.11 26.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.102 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 4.0 mt -105.56 142.59 18.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.109 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.849 ' CD2' HD11 ' A' ' 22' ' ' ILE . 23.6 m80 -113.32 85.33 2.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.863 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.456 ' O ' ' N ' ' A' ' 18' ' ' ASP . . . -47.89 160.42 0.5 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.494 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.43 ' C ' ' O ' ' A' ' 15' ' ' GLY . 71.4 mt -35.71 -50.74 0.64 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.784 0.326 . . . . 0.0 110.893 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -62.84 -42.85 99.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.456 ' N ' ' O ' ' A' ' 15' ' ' GLY . 6.8 m-20 -60.81 -38.64 86.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.87 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 44.3 mt-30 -57.49 -45.52 84.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.917 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.407 ' HB2' HD11 ' A' ' 109' ' ' LEU . 63.7 tttt -42.44 -48.41 5.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.906 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.09 -54.17 45.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.893 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.849 HD11 ' CD2' ' A' ' 14' ' ' HIS . 86.7 mt -41.58 -52.69 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.119 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.561 ' HB2' HD22 ' A' ' 43' ' ' LEU . 27.3 m-85 -68.57 -49.51 58.88 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.869 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 55.4 m -42.98 -45.36 5.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.168 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -73.78 -38.09 64.76 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.829 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 89.1 t90 -56.82 -44.73 82.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.918 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.501 ' HB1' HG12 ' A' ' 56' ' ' ILE . . . -74.56 -45.5 44.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.086 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 34.7 m-20 -46.24 -40.79 12.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.859 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -53.05 -41.34 64.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.854 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.546 ' HB2' HG23 ' A' ' 56' ' ' ILE . 95.7 m-85 -74.24 -21.58 59.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.893 -179.817 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.558 HD11 HD21 ' A' ' 52' ' ' LEU . 18.7 mt -83.84 -36.84 23.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.948 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -77.82 -25.37 48.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.082 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 13.7 ptmt -75.09 -34.56 61.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.912 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.7 t -91.87 27.24 2.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 51.59 66.4 2.57 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.522 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.41 ' CB ' ' O ' ' A' ' 31' ' ' LEU . 6.7 t-80 -120.66 95.32 4.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.905 0.383 . . . . 0.0 110.848 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 31.4 mtpt -43.19 -61.29 1.37 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.451 ' HG2' ' N ' ' A' ' 39' ' ' LEU . 6.0 ttt180 -58.16 144.05 41.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.879 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.451 ' N ' ' HG2' ' A' ' 38' ' ' ARG . 37.3 mt -123.56 -175.74 3.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.907 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 91.7 mt -100.93 120.58 50.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.098 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 4.9 mpt_? -94.46 -64.77 1.04 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.855 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.455 ' O ' ' N ' ' A' ' 45' ' ' GLN . 0.9 OUTLIER -112.53 98.33 7.18 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.848 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.779 HD11 ' CE2' ' A' ' 116' ' ' PHE . 13.0 tp -42.23 -23.48 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.92 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.485 ' CD ' HD13 ' A' ' 109' ' ' LEU . 62.7 mt-30 -77.45 -40.12 44.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.902 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.792 ' HA ' HG23 ' A' ' 48' ' ' THR . 27.5 mt-30 -86.17 -48.24 8.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.936 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.786 ' OD1' HG13 ' A' ' 47' ' ' VAL . 0.5 OUTLIER -42.32 -23.64 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 179.924 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.786 HG13 ' OD1' ' A' ' 46' ' ' ASP . 26.2 m -114.76 42.74 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.146 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.792 HG23 ' HA ' ' A' ' 45' ' ' GLN . 3.1 p -91.46 -35.72 14.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.165 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -106.22 -12.23 15.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.873 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 86.9 -25.4 7.6 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.47 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 66.1 t -50.58 -70.35 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.882 0.372 . . . . 0.0 111.143 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.612 ' O ' HD12 ' A' ' 56' ' ' ILE . 1.8 tt -53.06 -35.88 60.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.96 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.697 ' HB2' HG12 ' A' ' 47' ' ' VAL . 1.7 tp -59.75 -47.01 87.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.932 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -67.62 -34.6 77.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.113 179.784 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -46.7 -27.44 1.18 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.951 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.612 HD12 ' O ' ' A' ' 52' ' ' LEU . 5.3 mp -94.57 -58.66 3.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.185 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.662 HD11 HD11 ' A' ' 53' ' ' LEU . 59.3 mt -37.84 -50.92 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.123 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.414 ' O ' ' N ' ' A' ' 62' ' ' ASN . 37.5 mt-30 -54.64 -43.6 72.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.929 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.402 ' N ' ' O ' ' A' ' 56' ' ' ILE . 65.8 t -68.18 -64.13 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.111 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 8.1 p -52.89 -32.64 18.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.147 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -89.55 -19.42 25.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.109 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.414 ' N ' ' O ' ' A' ' 58' ' ' GLN . 6.9 m120 66.64 37.36 4.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.905 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -143.88 166.94 23.53 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 4.4 ttpp -117.17 131.43 56.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.89 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.423 ' HB ' ' CG1' ' A' ' 68' ' ' ILE . 22.4 mt -91.98 117.47 35.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.132 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -82.31 -15.18 53.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.921 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -89.14 35.43 0.8 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.87 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.423 ' CG1' ' HB ' ' A' ' 65' ' ' ILE . 34.9 mm -113.74 111.09 34.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.149 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 57.4 t30 -48.54 -57.1 6.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.856 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 115.89 -59.92 0.43 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.482 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 92.0 m -134.17 72.14 71.89 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.631 0.729 . . . . 0.0 110.9 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 132.78 24.07 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.71 2.274 . . . . 0.0 112.334 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.45 ' HG2' ' N ' ' A' ' 74' ' ' ASN . 0.0 OUTLIER -123.67 -34.13 3.09 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.932 179.889 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.45 ' N ' ' HG2' ' A' ' 73' ' ' LYS . 2.5 t30 -68.9 170.78 9.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.931 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 4.2 tpt180 -61.81 -50.75 71.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.458 ' O ' ' N ' ' A' ' 79' ' ' ILE . 5.1 p -81.74 -31.08 32.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.872 -179.807 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 22.7 mm-40 -40.88 -38.43 0.95 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.954 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.437 ' SD ' ' NH1' ' A' ' 105' ' ' ARG . 20.1 mtt -77.61 -34.84 53.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.884 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.458 ' N ' ' O ' ' A' ' 76' ' ' SER . 21.6 mm -56.55 -54.39 29.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.145 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -42.79 -56.95 2.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.895 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 7.0 m-20 -39.51 -71.26 0.08 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 28.9 mt -47.92 -37.63 6.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.121 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -59.05 -49.53 77.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -51.79 -45.72 63.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.101 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 63.6 m -59.36 -43.17 92.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.712 ' O ' HG21 ' A' ' 96' ' ' ILE . 81.8 mt -63.29 -45.02 93.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.918 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 70.4 m-80 -69.81 -35.79 75.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.853 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 6.1 t80 -67.67 -40.49 84.45 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.857 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 89.8 mt -69.26 -42.85 75.03 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.909 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -52.62 -46.51 67.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.119 179.766 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -56.17 -18.84 11.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.131 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 36.2 mmtt -88.63 -17.48 30.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 112.64 29.08 3.24 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.477 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.783 HD11 ' HB2' ' A' ' 122' ' ' TYR . 71.6 mt -112.88 137.81 44.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.856 0.36 . . . . 0.0 111.101 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 22.7 t-20 -73.55 124.83 26.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.712 HG21 ' O ' ' A' ' 86' ' ' LEU . 32.6 pt -123.0 -31.35 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.187 179.875 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.45 ' C ' ' O ' ' A' ' 96' ' ' ILE . 29.9 mm-40 -34.65 -51.37 0.48 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.902 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -56.25 -45.66 87.8 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.481 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.411 ' N ' ' O ' ' A' ' 96' ' ' ILE . 43.9 mt -58.34 170.09 0.77 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.799 0.333 . . . . 0.0 110.934 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 12.8 m -149.28 112.32 4.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.844 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -47.74 -52.13 19.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.055 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -50.0 -57.43 7.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.863 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -49.96 -55.91 12.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.857 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.465 HG22 ' O ' ' A' ' 47' ' ' VAL . 27.8 mt -48.18 -44.86 12.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.137 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.437 ' NH1' ' SD ' ' A' ' 78' ' ' MET . 3.6 ttt85 -59.48 -33.32 71.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.87 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 37.6 m-20 -75.25 -16.85 60.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.952 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 87.24 26.96 29.33 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.517 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . 0.757 ' O ' HD12 ' A' ' 112' ' ' ILE . 42.2 t30 -71.39 100.39 2.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.893 0.377 . . . . 0.0 110.877 -179.86 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.485 HD13 ' CD ' ' A' ' 44' ' ' GLN . 8.6 tp -37.38 -61.54 0.58 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.931 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.418 ' C ' ' O ' ' A' ' 109' ' ' LEU . 11.3 mmtp -36.81 -40.25 0.26 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.915 179.807 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -73.64 -68.33 0.52 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.1 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.774 ' H ' HD12 ' A' ' 112' ' ' ILE . 5.2 mp -41.8 -54.26 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.151 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 92.8 mt -45.73 -51.38 12.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.935 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -54.51 -47.11 71.27 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.519 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 1.03 HD23 ' N ' ' A' ' 116' ' ' PHE . 0.1 OUTLIER -55.78 -60.6 3.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.839 0.352 . . . . 0.0 110.935 -179.948 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 1.03 ' N ' HD23 ' A' ' 115' ' ' LEU . 11.4 m-85 -63.12 -25.12 68.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . 0.48 ' CD1' ' C ' ' A' ' 117' ' ' PHE . 3.1 t80 -71.1 -29.4 65.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.904 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 6.8 p -95.0 -40.46 9.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.829 -179.775 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 15.9 tp -59.51 -49.46 77.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.942 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 58.9 p -51.72 -30.5 22.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 25.5 mtt-85 -71.55 -41.9 68.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.847 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . 0.783 ' HB2' HD11 ' A' ' 94' ' ' ILE . 2.2 t80 -47.48 -48.39 27.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.938 -179.843 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 12.3 tptp -76.36 -59.09 2.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.943 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -49.63 124.35 9.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.906 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 71.72 36.27 1.26 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.921 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 19.1 tp60 -121.52 49.36 1.54 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.938 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -74.75 99.97 3.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 22.8 mm-40 -40.62 144.29 0.61 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.609 0.719 . . . . 0.0 110.914 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 C--N 1.341 0.151 0 C-N-CA 122.757 2.305 . . . . 0.0 112.326 179.999 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.499 -0.241 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.3 t -44.52 143.43 1.32 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.895 0.378 . . . . 0.0 110.865 -179.731 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.3 m -47.76 157.86 0.24 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.858 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -146.73 -80.32 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.439 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.5 m -49.89 115.45 1.4 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.894 0.378 . . . . 0.0 110.832 -179.729 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 96.8 p -129.89 139.37 51.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.862 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 132.49 91.62 0.5 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.481 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.11 90.62 8.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.779 0.323 . . . . 0.0 110.931 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 57.1 mtp180 56.68 42.3 27.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.907 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 22.5 mtmm -113.39 141.48 25.92 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.575 0.702 . . . . 0.0 110.888 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 147.43 62.64 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.667 2.245 . . . . 0.0 112.359 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 10.6 p -153.59 139.33 11.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.099 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 38.5 mm -105.07 138.33 30.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.151 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.514 ' CG ' HD11 ' A' ' 22' ' ' ILE . 66.6 m80 -100.42 78.49 2.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 16' ' ' LEU . . . -47.02 168.52 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.488 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.407 ' C ' ' O ' ' A' ' 15' ' ' GLY . 65.9 mt -37.54 -55.94 1.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.745 0.307 . . . . 0.0 110.895 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -55.79 -44.01 77.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.413 ' HB2' ' C ' ' A' ' 14' ' ' HIS . 1.4 m-20 -65.68 -29.5 70.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.831 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.438 ' HA ' HD12 ' A' ' 22' ' ' ILE . 26.6 mt-30 -67.7 -47.02 70.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.92 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 24.1 tttt -40.6 -48.16 2.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.944 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 5.2 tpt180 -62.92 -56.16 19.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.514 HD11 ' CG ' ' A' ' 14' ' ' HIS . 96.8 mt -38.72 -49.79 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.086 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 -70.76 -37.95 73.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.898 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.5 ' O ' ' ND2' ' A' ' 28' ' ' ASN . 49.3 m -54.03 -50.29 67.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.108 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -68.19 -40.49 82.22 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.883 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 78.6 t90 -52.48 -48.68 65.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.93 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.807 ' HB1' HG12 ' A' ' 56' ' ' ILE . . . -68.3 -44.13 76.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.126 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.927 ' OD1' HD22 ' A' ' 39' ' ' LEU . 1.7 m-80 -43.89 -41.72 5.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.907 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -53.55 -47.58 69.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 85.8 m-85 -67.77 -14.59 63.08 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.902 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.553 HD11 HD21 ' A' ' 52' ' ' LEU . 17.5 mt -89.66 -57.45 2.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.878 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.47 -21.86 60.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.095 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 10.9 ptmt -79.03 -39.56 33.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.932 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.2 m -81.18 1.78 30.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 80.7 65.37 1.72 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.508 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 4.5 m-70 -117.13 148.94 41.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.838 0.351 . . . . 0.0 110.887 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.8 pttp -105.71 -17.85 14.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.949 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 14.0 ttm105 -101.54 129.1 47.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.855 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.927 HD22 ' OD1' ' A' ' 28' ' ' ASN . 80.6 mt -109.51 171.28 7.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.935 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.534 HG23 ' CB ' ' A' ' 46' ' ' ASP . 95.8 mt -91.5 110.74 22.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.141 179.837 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 14.5 mtp180 -87.86 -57.45 2.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.861 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -114.74 100.09 7.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.844 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.851 HD11 ' CE2' ' A' ' 116' ' ' PHE . 12.0 tp -50.0 -21.31 1.18 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.897 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.565 ' CD ' HD13 ' A' ' 109' ' ' LEU . 35.2 mt-30 -84.5 -28.95 26.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 71.2 mt-30 -109.83 8.79 24.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.937 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.621 ' OD1' HG13 ' A' ' 47' ' ' VAL . 0.3 OUTLIER -95.21 -35.0 12.01 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.873 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.658 HG12 ' HB2' ' A' ' 53' ' ' LEU . 34.5 m -101.76 29.31 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.115 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 7.6 p -83.62 -32.91 25.45 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.118 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -97.31 -16.36 20.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.851 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 78.04 -10.46 26.78 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.527 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 42.6 t -68.95 -70.6 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.927 0.394 . . . . 0.0 111.169 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.589 ' O ' HD23 ' A' ' 52' ' ' LEU . 1.7 tt -51.71 -31.15 25.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.958 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.658 ' HB2' HG12 ' A' ' 47' ' ' VAL . 2.1 tp -62.34 -50.37 71.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.876 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.03 -46.02 92.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.145 179.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.814 ' O ' HG23 ' A' ' 59' ' ' VAL . 15.5 mt-30 -39.4 -39.64 0.7 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.885 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.807 HG12 ' HB1' ' A' ' 27' ' ' ALA . 3.6 mp -78.43 -51.04 18.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.139 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.642 HD11 HD11 ' A' ' 53' ' ' LEU . 41.9 mt -50.61 -53.11 14.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.1 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -55.08 -17.1 3.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.814 HG23 ' O ' ' A' ' 55' ' ' GLN . 30.2 t -93.26 -59.18 3.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.123 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.406 HG12 ' HA ' ' A' ' 57' ' ' ILE . 7.2 p -59.92 -24.75 30.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.155 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -100.18 -16.85 17.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.039 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 71.2 m-80 62.38 48.45 4.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.841 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -151.1 160.32 43.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 22.1 tttt -110.69 138.06 47.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.867 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.44 ' HB ' ' CG1' ' A' ' 68' ' ' ILE . 20.7 mt -100.65 115.12 41.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.138 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -78.51 -23.57 46.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.935 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.459 ' HB3' ' HB1' ' A' ' 84' ' ' ALA . 2.3 t70 -82.47 41.12 0.69 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.836 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.44 ' CG1' ' HB ' ' A' ' 65' ' ' ILE . 33.8 mm -118.03 110.32 30.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.129 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -49.66 -68.29 0.19 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.905 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 132.11 -71.12 0.51 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.484 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 74.8 m -128.19 81.46 70.43 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.548 0.69 . . . . 0.0 110.876 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 141.96 46.59 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.708 2.272 . . . . 0.0 112.318 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.465 ' HD2' ' N ' ' A' ' 73' ' ' LYS . 0.0 OUTLIER -124.43 -37.24 2.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.927 179.873 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.471 ' HB2' ' CG ' ' A' ' 77' ' ' GLN . 9.0 m-20 -77.73 -179.85 6.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 1.5 tmt_? -70.71 -55.6 8.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.493 ' O ' ' N ' ' A' ' 79' ' ' ILE . 10.5 t -71.0 -34.73 71.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.846 -179.767 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.471 ' CG ' ' HB2' ' A' ' 74' ' ' ASN . 6.1 mm-40 -40.31 -37.16 0.62 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.894 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 17.6 mtt -80.32 -32.96 37.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.907 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.493 ' N ' ' O ' ' A' ' 76' ' ' SER . 26.4 mm -52.19 -46.62 44.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.165 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.434 ' O ' ' C ' ' A' ' 81' ' ' ASN . 12.2 mt-10 -51.25 -63.7 1.05 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.882 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.434 ' C ' ' O ' ' A' ' 80' ' ' GLU . 57.2 m-80 -35.62 -72.53 0.05 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.838 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 61.2 mt -48.86 -36.6 8.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.181 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -60.85 -49.31 77.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.916 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.459 ' HB1' ' HB3' ' A' ' 67' ' ' ASP . . . -54.0 -42.91 69.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.085 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 62.4 m -61.98 -38.2 87.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.482 ' O ' HG21 ' A' ' 96' ' ' ILE . 83.3 mt -66.72 -50.12 63.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.902 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 68.6 m-80 -66.37 -33.43 75.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.906 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.452 ' CD1' ' C ' ' A' ' 88' ' ' PHE . 1.4 t80 -70.84 -40.11 72.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.873 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.586 HD22 HD12 ' A' ' 94' ' ' ILE . 27.3 mt -72.03 -42.02 66.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.935 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -52.85 -38.08 61.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.058 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -66.26 -21.34 66.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.096 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 39.6 mmtt -86.54 -18.54 31.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.882 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 114.51 32.73 1.88 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.471 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.761 HD11 ' CB ' ' A' ' 122' ' ' TYR . 78.4 mt -117.45 123.02 71.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.854 0.359 . . . . 0.0 111.094 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 16.6 t-20 -60.37 133.39 56.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.911 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.482 HG21 ' O ' ' A' ' 86' ' ' LEU . 11.5 pt -128.03 -29.05 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.122 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.44 ' N ' HG13 ' A' ' 96' ' ' ILE . 10.1 mm100 -36.16 -52.54 0.79 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -57.36 -46.11 92.17 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.464 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 66.1 mt -60.04 164.08 4.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.798 0.332 . . . . 0.0 110.933 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 9.8 m -148.25 108.89 4.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.834 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -44.48 -49.6 9.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.129 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -52.74 -51.42 60.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.913 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -57.23 -46.47 82.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.85 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.458 ' CG2' HG23 ' A' ' 47' ' ' VAL . 35.8 mt -58.41 -42.7 84.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.167 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 18.5 ttt-85 -64.56 -30.5 71.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.852 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 16.5 m-20 -75.16 -26.21 58.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.891 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 100.23 18.33 22.09 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.482 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . 0.721 ' O ' HD12 ' A' ' 112' ' ' ILE . 0.3 OUTLIER -67.39 104.56 1.56 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.867 0.365 . . . . 0.0 110.846 -179.844 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.565 HD13 ' CD ' ' A' ' 44' ' ' GLN . 11.6 tp -40.41 -57.63 1.74 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.43 ' HB2' ' ND2' ' A' ' 108' ' ' ASN . 57.6 mmtt -39.9 -41.03 1.1 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.931 179.801 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -73.96 -63.62 1.18 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.103 179.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.726 ' H ' HD12 ' A' ' 112' ' ' ILE . 5.3 mp -47.04 -59.86 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.157 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.456 HD23 ' HA ' ' A' ' 113' ' ' LEU . 13.3 mt -48.16 -46.6 34.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.91 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -56.53 -39.41 84.67 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.462 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 1.015 HD23 ' N ' ' A' ' 116' ' ' PHE . 0.1 OUTLIER -60.28 -60.15 4.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.851 0.358 . . . . 0.0 110.881 -179.877 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 1.015 ' N ' HD23 ' A' ' 115' ' ' LEU . 10.7 m-85 -63.63 -18.34 63.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.878 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . 0.5 ' CD1' ' C ' ' A' ' 117' ' ' PHE . 3.1 t80 -71.13 -40.3 71.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 1.6 t -88.38 -44.59 10.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.906 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 14.1 tp -51.84 -44.55 63.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.915 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 86.7 p -59.97 -21.64 61.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 57.3 mtp85 -77.47 -45.55 25.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.836 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . 0.761 ' CB ' HD11 ' A' ' 94' ' ' ILE . 0.5 OUTLIER -47.05 -25.51 0.85 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.931 -179.856 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 13.4 tptp -94.83 -58.57 2.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.866 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -53.3 -20.2 4.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.922 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 81.4 mt-30 -85.63 -29.75 23.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.917 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 44.8 mm-40 -87.18 44.87 1.21 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.874 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 3.1 mp0 -46.44 143.11 2.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.918 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -98.84 146.4 31.58 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.615 0.722 . . . . 0.0 110.928 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--O 1.231 0.165 0 C-N-CA 122.731 2.287 . . . . 0.0 112.358 -179.991 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.37 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 t -66.76 -56.38 10.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.873 0.368 . . . . 0.0 110.889 -179.756 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.3 t 62.27 42.22 9.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 94.94 -148.08 18.84 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.482 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 87.4 p -167.39 117.01 0.83 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.863 0.363 . . . . 0.0 110.872 -179.705 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.2 t -85.27 90.29 7.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -119.51 143.45 17.08 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.51 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 27.0 mtpp -57.25 99.79 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.774 0.321 . . . . 0.0 110.911 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.16 -63.86 1.2 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.897 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 23.0 mmtp -115.08 155.97 45.95 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.558 0.694 . . . . 0.0 110.883 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 120.46 7.24 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.689 2.259 . . . . 0.0 112.348 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.493 ' O ' ' CE1' ' A' ' 14' ' ' HIS . 14.6 p -151.55 143.37 16.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.157 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.424 ' CG2' ' N ' ' A' ' 14' ' ' HIS . 4.9 mt -72.36 153.57 7.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.143 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.851 ' CD2' HD11 ' A' ' 22' ' ' ILE . 8.5 m80 -123.35 93.1 3.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.892 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.414 ' N ' ' HB2' ' A' ' 18' ' ' ASP . . . -52.67 178.62 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.499 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.522 ' O ' HD11 ' A' ' 113' ' ' LEU . 87.5 mt -51.8 -48.88 63.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.758 0.313 . . . . 0.0 110.922 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -65.4 -30.8 71.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.845 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.414 ' HB2' ' N ' ' A' ' 15' ' ' GLY . 0.9 OUTLIER -71.48 -42.11 68.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.874 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -54.78 -39.57 68.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.926 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.447 ' N ' HD21 ' A' ' 113' ' ' LEU . 58.9 tttt -48.31 -35.33 12.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.875 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 19.5 ttp180 -78.19 -43.52 28.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.869 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.851 HD11 ' CD2' ' A' ' 14' ' ' HIS . 97.7 mt -52.3 -50.16 38.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.127 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 26.0 m-85 -68.18 -46.56 70.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.931 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 28.3 m -41.95 -50.65 4.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.118 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -67.13 -41.05 86.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.886 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 82.8 t90 -54.85 -46.12 74.61 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.905 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.68 ' HB1' HG12 ' A' ' 56' ' ' ILE . . . -72.66 -45.43 58.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.125 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 35.1 m-20 -47.65 -40.15 19.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.903 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -56.49 -39.89 74.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.855 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -73.27 -22.95 60.27 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.919 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.691 HD11 HD21 ' A' ' 52' ' ' LEU . 14.4 mt -80.32 -53.59 6.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.937 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -57.43 -41.65 80.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.114 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 10.7 ptmt -58.99 -41.55 87.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.892 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 12.3 m -87.92 36.2 0.76 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.861 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 45.42 67.25 1.28 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.43 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.686 ' CD2' HD22 ' A' ' 31' ' ' LEU . 86.3 t60 -125.62 81.9 2.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.822 0.344 . . . . 0.0 110.899 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.44 ' C ' ' O ' ' A' ' 36' ' ' HIS . 29.4 mttm -34.29 -74.92 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.456 ' HG2' ' N ' ' A' ' 39' ' ' LEU . 31.5 ttm180 -42.6 152.33 0.1 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.862 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.456 ' N ' ' HG2' ' A' ' 38' ' ' ARG . 54.2 mt -130.83 -175.76 3.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.906 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.513 HG23 ' HB3' ' A' ' 46' ' ' ASP . 92.9 mt -102.26 119.72 50.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.114 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.441 ' N ' ' HD3' ' A' ' 41' ' ' ARG . 1.7 mpp_? -93.06 -60.75 1.72 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.852 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.438 ' O ' ' N ' ' A' ' 45' ' ' GLN . 2.7 m-20 -115.07 98.27 6.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.818 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.565 HD11 ' CE2' ' A' ' 116' ' ' PHE . 13.0 tp -42.37 -24.06 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.933 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.42 ' N ' ' O ' ' A' ' 42' ' ' ASP . 44.8 mt-30 -76.38 -40.71 50.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.929 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.799 ' HA ' HG23 ' A' ' 48' ' ' THR . 42.7 mt-30 -85.45 -48.25 9.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.889 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.865 ' OD1' HG13 ' A' ' 47' ' ' VAL . 0.5 OUTLIER -43.85 -22.55 0.06 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.838 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.865 HG13 ' OD1' ' A' ' 46' ' ' ASP . 25.4 m -114.94 40.26 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.118 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.799 HG23 ' HA ' ' A' ' 45' ' ' GLN . 2.8 p -89.69 -34.71 16.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.148 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.452 ' O ' ' CB ' ' A' ' 81' ' ' ASN . 1.9 m-20 -105.93 -15.53 14.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.825 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 89.33 -20.88 31.47 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.504 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 99.5 t -54.78 -69.75 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.839 0.352 . . . . 0.0 111.156 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.691 HD21 HD11 ' A' ' 31' ' ' LEU . 1.7 tt -53.58 -32.14 49.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.91 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.689 HD11 HD11 ' A' ' 57' ' ' ILE . 1.9 tp -61.77 -56.49 19.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.901 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.409 ' HB1' HD12 ' A' ' 65' ' ' ILE . . . -58.75 -40.4 83.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.09 179.834 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.542 ' O ' HG23 ' A' ' 59' ' ' VAL . 25.2 mt-30 -39.44 -36.46 0.37 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.957 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.68 HG12 ' HB1' ' A' ' 27' ' ' ALA . 4.5 mp -85.35 -55.35 6.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.118 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.689 HD11 HD11 ' A' ' 53' ' ' LEU . 14.4 mt -42.59 -55.67 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.113 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.422 ' O ' ' N ' ' A' ' 62' ' ' ASN . 32.1 mt-30 -52.72 -37.63 59.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.908 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.542 HG23 ' O ' ' A' ' 55' ' ' GLN . 82.0 t -70.83 -67.55 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.16 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 10.9 p -51.17 -30.5 9.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.094 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -90.63 -25.73 19.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.117 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.422 ' N ' ' O ' ' A' ' 58' ' ' GLN . 3.8 m120 71.74 31.94 2.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.914 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -137.03 154.45 50.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.902 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 10.4 ttpp -104.08 129.91 51.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.866 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.409 HD12 ' HB1' ' A' ' 54' ' ' ALA . 10.0 mt -91.05 120.61 40.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.12 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -86.71 -18.24 31.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.873 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -84.69 32.97 0.51 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.839 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 29.9 mm -114.05 125.22 71.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.115 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 53.0 t30 -66.84 -61.97 1.68 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 110.6 -64.14 0.26 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.51 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 20.7 p -120.01 83.95 31.84 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.543 0.687 . . . . 0.0 110.869 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 137.06 34.46 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.698 2.266 . . . . 0.0 112.332 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.417 ' HD2' ' N ' ' A' ' 73' ' ' LYS . 0.0 OUTLIER -111.08 -45.51 3.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.905 179.909 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -86.83 168.88 13.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.884 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.17 -25.35 61.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.835 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 82.1 p -88.85 -28.16 20.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.888 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 24.3 mm-40 -53.86 -28.19 34.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.858 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 19.8 mtt -73.08 -43.77 61.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.879 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.453 ' CD1' ' HA ' ' A' ' 102' ' ' GLU . 47.9 mm -41.93 -55.08 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.154 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -47.81 -54.59 11.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.866 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.452 ' CB ' ' O ' ' A' ' 49' ' ' ASP . 1.8 m-20 -38.5 -69.92 0.11 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.88 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.596 HG21 HD12 ' A' ' 104' ' ' ILE . 18.2 mt -54.88 -44.4 72.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.113 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -48.32 -53.82 16.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.922 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -50.89 -44.12 59.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.095 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 42.6 m -61.89 -51.46 68.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.86 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.513 ' O ' HD13 ' A' ' 96' ' ' ILE . 73.8 mt -51.75 -47.53 64.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.897 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 69.4 m-80 -69.46 -42.6 74.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.908 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.531 ' CD1' ' C ' ' A' ' 88' ' ' PHE . 1.2 t80 -57.23 -37.4 72.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.908 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 22.8 mt -70.04 -56.62 6.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.896 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -43.94 -41.48 5.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.142 179.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -61.07 -40.06 92.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.117 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 63.9 mmtt -63.19 -25.41 68.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.854 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 119.89 35.89 0.87 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.496 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.668 HD11 ' HB2' ' A' ' 122' ' ' TYR . 31.7 mt -118.35 155.37 20.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.848 0.356 . . . . 0.0 111.14 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . 0.442 ' N ' HG22 ' A' ' 94' ' ' ILE . 26.8 t30 -93.1 113.86 26.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.878 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.513 HD13 ' O ' ' A' ' 86' ' ' LEU . 38.6 pt -109.7 -20.32 6.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.137 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 11.7 mt-30 -43.78 120.94 2.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.927 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 121.69 -33.12 4.39 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.459 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 22.3 mt -68.17 175.39 3.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.828 0.347 . . . . 0.0 110.925 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 15.3 m -151.99 106.64 3.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.883 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -44.43 -48.73 9.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.154 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.453 ' HA ' ' CD1' ' A' ' 79' ' ' ILE . 29.2 tt0 -55.3 -54.64 40.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -50.74 -53.92 27.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.921 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.596 HD12 HG21 ' A' ' 82' ' ' ILE . 10.0 mt -47.53 -50.77 8.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.169 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 21.4 ttt-85 -55.27 -30.09 59.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.894 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 82.1 m-20 -81.41 -13.82 57.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 89.87 24.71 29.25 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.486 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . 0.814 ' O ' HD12 ' A' ' 112' ' ' ILE . 13.8 t30 -66.5 99.45 0.57 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.901 0.382 . . . . 0.0 110.885 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.437 ' O ' ' C ' ' A' ' 110' ' ' LYS . 4.2 tp -37.31 -69.9 0.11 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.896 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.484 ' HD2' HD13 ' A' ' 16' ' ' LEU . 0.0 OUTLIER -34.54 -42.19 0.14 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.939 179.857 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . 0.42 ' HB3' ' O ' ' A' ' 108' ' ' ASN . . . -68.24 -63.33 1.08 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.08 179.828 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.814 HD12 ' O ' ' A' ' 108' ' ' ASN . 5.4 mp -52.95 -56.26 8.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.115 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.522 HD11 ' O ' ' A' ' 16' ' ' LEU . 32.8 mt -48.93 -54.26 16.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.938 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -51.73 -40.82 49.49 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.507 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 1.0 HD23 ' N ' ' A' ' 116' ' ' PHE . 0.1 OUTLIER -60.06 -58.82 6.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.864 0.364 . . . . 0.0 110.929 -179.933 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 1.0 ' N ' HD23 ' A' ' 115' ' ' LEU . 10.7 m-85 -63.12 -17.86 62.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.879 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . 0.467 ' CD1' ' C ' ' A' ' 117' ' ' PHE . 4.6 t80 -73.43 -35.99 65.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.878 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 5.7 t -93.88 -35.45 12.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.845 -179.783 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.431 ' O ' HD12 ' A' ' 119' ' ' LEU . 3.5 tp -56.87 -57.04 14.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.894 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 34.3 t -44.44 -41.22 6.1 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.876 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 11.8 mmp_? -46.93 -50.86 18.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.897 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . 0.668 ' HB2' HD11 ' A' ' 94' ' ' ILE . 17.1 t80 -40.94 -53.28 2.97 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.893 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 10.4 tptp -73.28 -48.75 32.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.903 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 36.5 mm-40 -50.59 128.94 21.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.917 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 72.36 33.82 1.42 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.903 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -123.43 45.42 2.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.896 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 16.5 pt20 -119.45 -40.46 2.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.921 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 -96.11 134.94 23.03 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.608 0.718 . . . . 0.0 110.935 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--N 1.342 0.195 0 C-N-CA 122.654 2.236 . . . . 0.0 112.332 -179.992 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.6 m -95.43 114.24 25.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.888 0.375 . . . . 0.0 110.848 -179.746 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.2 m -94.79 145.31 24.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.862 -179.793 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 150.68 151.97 5.7 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.496 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.0 p -82.72 157.2 23.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.852 0.358 . . . . 0.0 110.853 -179.725 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.4 m -85.03 162.02 19.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.895 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -103.8 88.57 0.63 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.468 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 21.1 mtmm 56.51 51.8 10.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.79 0.328 . . . . 0.0 110.889 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.402 ' NE ' ' HA ' ' A' ' 9' ' ' ARG . 15.1 mmp_? -104.34 152.5 22.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.919 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 22.2 mtpp -91.83 152.29 42.95 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.577 0.703 . . . . 0.0 110.893 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 98.09 0.68 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.696 2.264 . . . . 0.0 112.317 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.406 HG23 ' O ' ' A' ' 13' ' ' ILE . 1.0 OUTLIER -63.35 171.34 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.105 179.935 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.406 ' O ' HG23 ' A' ' 12' ' ' VAL . 18.6 mm -80.23 152.44 4.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.103 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.508 ' CG ' HD11 ' A' ' 22' ' ' ILE . 24.0 m-70 -127.43 77.84 1.77 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.903 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.4 ' O ' ' N ' ' A' ' 18' ' ' ASP . . . -43.47 161.52 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.469 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 61.6 mt -38.49 -52.54 1.59 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.762 0.315 . . . . 0.0 110.939 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -60.05 -40.53 89.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.917 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.4 ' N ' ' O ' ' A' ' 15' ' ' GLY . 11.1 m-20 -66.17 -28.85 69.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.852 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.507 ' HA ' HD12 ' A' ' 22' ' ' ILE . 25.7 mt-30 -67.53 -45.72 74.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.926 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 27.0 tttt -43.15 -43.77 4.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.89 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.9 tpt180 -66.13 -50.36 64.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.856 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.508 HD11 ' CG ' ' A' ' 14' ' ' HIS . 59.1 mt -51.59 -46.69 37.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.168 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.411 ' CG ' ' HB3' ' A' ' 116' ' ' PHE . 21.7 m-85 -66.79 -47.05 73.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.945 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.499 ' O ' ' ND2' ' A' ' 28' ' ' ASN . 53.5 m -46.26 -45.01 16.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.125 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -71.15 -38.94 72.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.896 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.574 ' CZ2' ' HA ' ' A' ' 120' ' ' SER . 76.8 t90 -54.53 -47.08 73.57 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.937 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.847 ' HB1' HG12 ' A' ' 56' ' ' ILE . . . -71.84 -42.85 66.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.11 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.499 ' ND2' ' O ' ' A' ' 24' ' ' THR . 1.8 m-80 -45.5 -43.24 11.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.855 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 2.8 t60 -54.05 -49.22 69.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.496 ' HB2' HG23 ' A' ' 56' ' ' ILE . 79.0 m-85 -65.47 -19.97 66.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.941 -179.881 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.547 HD11 HD21 ' A' ' 52' ' ' LEU . 27.2 mt -86.35 -39.61 16.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.907 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -77.78 -27.31 50.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.117 179.8 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.5 ptmm? -70.54 -35.72 73.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.938 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.1 m -92.49 24.07 3.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.851 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 50.45 71.13 0.68 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.494 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.455 ' CE1' ' HB3' ' A' ' 38' ' ' ARG . 12.7 t-80 -110.18 128.76 55.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.867 0.365 . . . . 0.0 110.869 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.0 mptt -84.05 46.68 1.22 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.455 ' HB3' ' CE1' ' A' ' 36' ' ' HIS . 40.1 ttm180 -174.78 153.55 1.77 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.886 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 39.8 mt -132.6 178.96 6.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.936 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.69 HG23 ' HB2' ' A' ' 46' ' ' ASP . 96.7 mt -100.94 115.03 41.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.152 179.81 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 69.6 mtm180 -88.8 -60.45 1.96 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.909 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.473 ' O ' ' N ' ' A' ' 45' ' ' GLN . 1.6 m-20 -113.82 98.92 7.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.856 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.668 HD11 ' CE2' ' A' ' 116' ' ' PHE . 13.1 tp -41.27 -39.87 1.48 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.902 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.543 ' CD ' HD13 ' A' ' 109' ' ' LEU . 26.1 mt-30 -67.71 -35.71 79.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.912 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.473 ' N ' ' O ' ' A' ' 42' ' ' ASP . 30.0 mt-30 -97.78 5.31 49.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.927 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.69 ' HB2' HG23 ' A' ' 40' ' ' ILE . 0.2 OUTLIER -94.57 -30.34 14.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 179.932 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.643 HG12 ' HB2' ' A' ' 53' ' ' LEU . 23.8 m -108.32 33.41 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.09 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 2.5 p -85.08 -35.93 21.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.146 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -98.96 -21.34 16.31 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.829 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 89.17 -24.65 12.58 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.47 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 58.8 t -54.71 -69.85 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.815 0.341 . . . . 0.0 111.105 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.674 ' O ' HD12 ' A' ' 56' ' ' ILE . 2.2 tt -50.82 -41.98 57.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.893 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.831 HD11 HD11 ' A' ' 57' ' ' ILE . 2.4 tp -52.52 -47.31 66.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.885 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.94 -37.37 85.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.085 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.524 ' O ' HG23 ' A' ' 59' ' ' VAL . 25.7 mt-30 -48.36 -22.82 0.76 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.965 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.847 HG12 ' HB1' ' A' ' 27' ' ' ALA . 5.3 mp -98.14 -49.0 12.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.137 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.831 HD11 HD11 ' A' ' 53' ' ' LEU . 79.7 mt -51.36 -49.3 31.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.093 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -56.77 -28.56 61.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.926 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.524 HG23 ' O ' ' A' ' 55' ' ' GLN . 10.6 t -79.75 -66.25 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.143 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.406 HG13 ' N ' ' A' ' 61' ' ' ALA . 6.2 p -50.29 -42.08 20.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.141 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.406 ' N ' HG13 ' A' ' 60' ' ' VAL . . . -83.66 -12.37 56.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.093 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 57.2 t30 56.88 41.37 28.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.939 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -139.6 160.85 38.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 10.7 ttpt -110.7 131.03 55.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.409 ' CG2' HG12 ' A' ' 68' ' ' ILE . 12.4 mt -97.54 118.76 44.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.113 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -87.79 -17.71 31.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.91 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.508 ' HB3' ' HB1' ' A' ' 84' ' ' ALA . 13.9 t0 -86.49 33.77 0.64 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.868 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.409 HG12 ' CG2' ' A' ' 65' ' ' ILE . 44.6 mm -114.31 129.68 69.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.114 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 42.2 t30 -64.42 -70.89 0.2 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.857 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 106.6 -39.36 2.9 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.494 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 10.8 t -133.63 75.29 68.92 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.604 0.716 . . . . 0.0 110.891 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 140.15 41.96 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.65 2.233 . . . . 0.0 112.384 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 22.6 mmtp -130.32 -36.26 1.5 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.9 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -90.12 166.82 13.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.949 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -70.11 -25.54 63.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.461 ' O ' ' N ' ' A' ' 79' ' ' ILE . 24.4 p -91.05 -43.31 10.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.866 -179.818 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -41.11 -35.88 0.63 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.917 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 18.3 mtt -66.59 -39.06 88.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.905 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.461 ' N ' ' O ' ' A' ' 76' ' ' SER . 16.8 mm -51.31 -56.45 5.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.159 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -43.62 -54.21 5.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.865 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -40.32 -69.46 0.13 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 24.1 mt -54.14 -43.4 59.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.111 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -50.15 -56.59 10.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.508 ' HB1' ' HB3' ' A' ' 67' ' ' ASP . . . -49.17 -46.38 45.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.113 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 83.9 m -58.27 -39.85 80.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.886 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.425 ' O ' HG21 ' A' ' 96' ' ' ILE . 45.7 mt -66.57 -45.41 79.39 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.912 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 58.0 m-80 -68.05 -34.28 76.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.888 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.46 ' CD1' ' C ' ' A' ' 88' ' ' PHE . 2.1 t80 -70.36 -42.48 71.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.855 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 30.5 mt -68.98 -40.56 78.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.913 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -55.75 -42.49 75.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.086 179.789 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -59.55 -25.82 64.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.143 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 38.1 mmtt -79.9 -23.43 41.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.928 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 118.61 36.61 0.9 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.505 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.751 HD11 ' HB2' ' A' ' 122' ' ' TYR . 61.9 mt -120.73 131.01 73.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.879 0.371 . . . . 0.0 111.093 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 3.8 t30 -67.37 128.03 34.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.881 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.425 HG21 ' O ' ' A' ' 86' ' ' LEU . 33.5 pt -124.8 -23.03 2.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.097 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -40.03 -45.29 1.9 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.943 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -64.34 -43.18 97.23 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.506 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 60.1 mt -59.86 168.52 1.75 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.755 0.312 . . . . 0.0 110.96 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 22.4 m -153.85 107.46 2.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.841 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -45.48 -52.13 10.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.104 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -51.1 -49.21 61.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.878 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -61.41 -42.37 98.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.477 ' CG2' HG23 ' A' ' 47' ' ' VAL . 58.6 mt -61.07 -45.54 98.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.116 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 28.3 ttt-85 -61.26 -28.95 69.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.878 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 35.1 m-20 -74.81 -25.5 59.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.893 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 96.54 24.39 14.01 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.483 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . 0.672 ' O ' HD12 ' A' ' 112' ' ' ILE . 59.8 t30 -71.93 104.43 3.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.806 0.336 . . . . 0.0 110.882 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.543 HD13 ' CD ' ' A' ' 44' ' ' GLN . 10.8 tp -40.89 -52.49 3.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.923 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 3.8 mmmm -45.46 -40.58 8.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.954 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -70.73 -65.71 0.7 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.109 179.781 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.743 ' H ' HD12 ' A' ' 112' ' ' ILE . 5.3 mp -44.36 -61.08 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.116 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.418 ' O ' ' CB ' ' A' ' 117' ' ' PHE . 63.5 mt -46.44 -39.24 10.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.974 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -64.76 -37.63 94.59 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.489 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.999 HD23 ' N ' ' A' ' 116' ' ' PHE . 0.1 OUTLIER -69.68 -58.84 3.44 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.922 0.391 . . . . 0.0 110.969 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.999 ' N ' HD23 ' A' ' 115' ' ' LEU . 10.7 m-85 -63.68 -15.51 58.57 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.931 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . 0.568 ' CD1' ' C ' ' A' ' 117' ' ' PHE . 0.6 OUTLIER -77.49 -35.83 53.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.875 -179.958 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 9.9 p -93.86 -34.18 13.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.813 -179.765 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 14.0 tp -60.01 -53.48 57.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.933 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . 0.574 ' HA ' ' CZ2' ' A' ' 26' ' ' TRP . 8.9 t -50.43 -32.4 17.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 36.6 mtp85 -63.07 -48.38 78.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.862 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . 0.751 ' HB2' HD11 ' A' ' 94' ' ' ILE . 0.4 OUTLIER -39.6 -43.0 1.26 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.925 -179.87 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . 0.406 ' O ' ' N ' ' A' ' 125' ' ' GLN . 8.6 tptp -88.94 -54.76 3.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.905 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 22.0 mm-40 -43.91 -22.73 0.06 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . 0.406 ' N ' ' O ' ' A' ' 123' ' ' LYS . 18.5 mm100 -76.22 -49.11 18.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.964 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -81.05 82.81 6.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.887 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -141.92 171.09 14.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 18.1 mp0 -113.4 143.53 29.51 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.638 0.732 . . . . 0.0 110.905 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--N 1.342 0.191 0 C-N-CA 122.718 2.279 . . . . 0.0 112.306 179.986 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.0 t -120.7 -49.1 2.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.87 0.367 . . . . 0.0 110.889 -179.756 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.3 m -82.22 96.67 7.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.817 -179.793 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -103.68 175.51 23.44 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.557 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.0 t -152.14 173.9 14.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.829 0.347 . . . . 0.0 110.848 -179.724 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.2 m -98.28 135.89 39.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.842 -179.792 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -117.16 54.62 0.59 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.515 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.4 pttp -83.68 110.73 18.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.809 0.338 . . . . 0.0 110.924 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 6.9 ptp180 -90.1 37.44 0.89 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.858 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.4 mptt -115.62 142.65 29.22 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.56 0.695 . . . . 0.0 110.912 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 102.69 1.05 Allowed 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.697 2.264 . . . . 0.0 112.375 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 83.3 t -123.31 134.71 65.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.147 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.466 ' CG2' ' N ' ' A' ' 14' ' ' HIS . 3.9 mt -92.8 155.93 3.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.117 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.646 ' CG ' HD11 ' A' ' 22' ' ' ILE . 75.9 m80 -132.98 88.06 2.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.902 179.817 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.432 ' O ' ' C ' ' A' ' 16' ' ' LEU . . . -44.56 162.03 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.512 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.521 ' HB3' HD23 ' A' ' 109' ' ' LEU . 86.5 mt -35.93 -58.22 0.65 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.794 0.33 . . . . 0.0 110.931 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -55.12 -43.93 74.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.923 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.435 ' HB2' ' C ' ' A' ' 14' ' ' HIS . 6.9 m-20 -60.28 -32.71 71.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.87 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.515 ' HA ' HD12 ' A' ' 22' ' ' ILE . 31.5 mt-30 -61.29 -53.57 55.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.909 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.714 ' HB2' HD11 ' A' ' 109' ' ' LEU . 40.9 tttt -36.16 -48.78 0.64 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.926 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.459 ' HD2' ' N ' ' A' ' 22' ' ' ILE . 1.6 tmm_? -59.35 -59.09 6.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.859 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.646 HD11 ' CG ' ' A' ' 14' ' ' HIS . 62.0 mt -41.41 -50.32 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.124 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.525 ' HB2' HD22 ' A' ' 43' ' ' LEU . 24.9 m-85 -67.42 -51.16 55.07 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.907 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 53.4 m -41.48 -58.38 1.92 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.12 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -60.0 -41.75 92.76 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.87 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 81.0 t90 -53.69 -44.33 69.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.92 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.628 ' HB1' HG12 ' A' ' 56' ' ' ILE . . . -75.0 -38.41 61.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.053 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.809 ' OD1' HD22 ' A' ' 39' ' ' LEU . 1.9 m-80 -48.86 -32.36 8.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.877 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -64.38 -53.16 53.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.423 ' HB2' HG23 ' A' ' 56' ' ' ILE . 78.5 m-85 -60.81 -21.62 63.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.878 -179.829 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.419 HD11 HD21 ' A' ' 52' ' ' LEU . 19.2 mt -86.64 -41.9 13.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.889 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -72.27 -27.65 62.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.151 179.773 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.5 ptmt -70.96 -39.65 72.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.898 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.4 t -84.8 26.64 0.81 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.895 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 49.21 58.04 8.38 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.489 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.595 ' CD2' ' HB3' ' A' ' 38' ' ' ARG . 58.5 t60 -96.72 122.75 40.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.855 0.36 . . . . 0.0 110.841 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -79.19 50.34 1.05 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.595 ' HB3' ' CD2' ' A' ' 36' ' ' HIS . 33.9 ttm180 -176.07 169.65 2.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.89 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.809 HD22 ' OD1' ' A' ' 28' ' ' ASN . 59.5 mt -144.12 171.95 13.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.923 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.478 HG23 ' CG ' ' A' ' 46' ' ' ASP . 44.3 mt -94.71 112.49 27.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.129 179.801 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 6.7 tpm_? -84.64 -61.91 1.68 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.857 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.424 ' HA ' ' CE ' ' A' ' 20' ' ' LYS . 6.3 m-20 -114.94 100.03 7.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.849 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.85 HD11 ' CE2' ' A' ' 116' ' ' PHE . 13.8 tp -44.85 -24.29 0.2 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.868 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 44.2 mt-30 -78.23 -39.93 38.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.894 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.707 ' HA ' HG23 ' A' ' 48' ' ' THR . 96.2 mm-40 -85.69 -54.65 4.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.478 ' CG ' HG23 ' A' ' 40' ' ' ILE . 5.2 m-20 -42.55 -23.49 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.869 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.611 HG22 ' O ' ' A' ' 43' ' ' LEU . 11.3 m -111.05 39.54 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.125 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.707 HG23 ' HA ' ' A' ' 45' ' ' GLN . 7.0 p -94.04 -32.59 13.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.127 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.491 ' O ' ' ND2' ' A' ' 81' ' ' ASN . 0.1 OUTLIER -101.49 -11.97 18.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 179.909 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 78.21 -13.26 15.88 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.501 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.573 HG21 ' O ' ' A' ' 70' ' ' GLY . 62.7 t -66.65 -65.11 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.851 0.358 . . . . 0.0 111.151 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.636 ' O ' HD23 ' A' ' 52' ' ' LEU . 2.0 tt -56.67 -28.79 61.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.943 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.594 HD12 ' O ' ' A' ' 53' ' ' LEU . 1.2 tp -64.83 -56.22 14.81 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.879 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.513 ' HB1' HD12 ' A' ' 65' ' ' ILE . . . -56.99 -36.52 70.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.115 179.77 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.521 ' O ' HG23 ' A' ' 59' ' ' VAL . 19.0 mt-30 -44.18 -30.46 0.78 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.628 HG12 ' HB1' ' A' ' 27' ' ' ALA . 5.0 mp -90.98 -45.38 14.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.117 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.501 HD11 HD11 ' A' ' 53' ' ' LEU . 15.8 mt -54.95 -42.61 64.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.134 179.863 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 29.6 mt-30 -68.63 -17.46 64.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.922 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.521 HG23 ' O ' ' A' ' 55' ' ' GLN . 78.7 t -93.79 -36.81 7.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.105 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.613 HG12 ' O ' ' A' ' 56' ' ' ILE . 3.3 p -84.93 -27.4 6.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.171 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -94.89 -13.42 25.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.135 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 5.6 m120 61.0 47.08 7.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.925 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 8.4 tm-20 -152.35 161.07 43.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 21.3 ttpt -110.22 132.0 54.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.904 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.513 HD12 ' HB1' ' A' ' 54' ' ' ALA . 12.7 mt -94.77 102.83 14.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.119 179.866 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -74.09 -15.74 61.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -86.52 37.24 0.73 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.909 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 30.7 mm -117.62 120.75 65.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.161 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.549 HD21 ' NE2' ' A' ' 77' ' ' GLN . 35.9 t-20 -60.44 -50.71 72.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.872 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.573 ' O ' HG21 ' A' ' 51' ' ' VAL . . . 101.7 -75.71 0.35 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.428 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 1.8 m -112.61 76.56 2.12 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.652 0.739 . . . . 0.0 110.899 -179.834 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.82 137.24 34.84 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.682 2.255 . . . . 0.0 112.308 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.26 -21.22 5.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.901 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -92.52 140.32 29.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.916 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 5.8 tpt180 -48.29 -24.99 1.36 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.879 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 65.4 p -96.87 -28.13 14.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.852 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.549 ' NE2' HD21 ' A' ' 69' ' ' ASN . 6.8 mm-40 -47.42 -41.1 19.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.887 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 2.1 mpt? -66.27 -46.42 77.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 47.5 mm -41.15 -51.82 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.11 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -52.41 -44.47 65.39 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.915 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.491 ' ND2' ' O ' ' A' ' 49' ' ' ASP . 3.0 m120 -47.47 -70.45 0.09 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.921 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.751 ' H ' HD12 ' A' ' 82' ' ' ILE . 5.3 mp -50.5 -41.0 19.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.134 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -56.46 -47.15 79.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.897 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -53.25 -48.1 68.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.083 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 34.1 m -58.64 -45.06 90.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 79.2 mt -59.22 -45.31 91.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 68.9 m-80 -69.85 -38.85 76.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.457 ' CZ ' ' NZ ' ' A' ' 92' ' ' LYS . 1.3 t80 -62.56 -40.0 95.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.884 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 27.2 mt -67.6 -49.97 60.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.974 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -49.26 -41.02 36.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.144 179.745 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -63.07 -26.44 68.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.128 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.457 ' NZ ' ' CZ ' ' A' ' 88' ' ' PHE . 28.9 mmtp -80.62 -13.56 58.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 106.77 33.97 3.16 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.506 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.643 HD11 ' HB2' ' A' ' 122' ' ' TYR . 47.1 mt -116.81 129.82 72.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.822 0.344 . . . . 0.0 111.112 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -70.94 117.26 12.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.9 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 36.8 pt -110.88 -19.25 7.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.099 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 41.0 mm-40 -42.7 104.37 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.921 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 136.24 -37.14 1.92 Allowed Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.489 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 78.3 mt -64.95 159.65 22.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.847 0.356 . . . . 0.0 110.882 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 42.4 m -137.9 107.95 6.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.854 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.405 ' HA ' HG21 ' A' ' 82' ' ' ILE . . . -49.37 -37.29 24.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.07 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -63.97 -50.12 69.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.865 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -55.51 -40.54 71.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.888 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.666 HD12 ' CG2' ' A' ' 82' ' ' ILE . 16.8 mt -63.73 -44.57 98.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.11 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 8.3 ttt85 -57.58 -32.2 66.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.848 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 39.9 m-20 -77.85 -24.28 48.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 96.35 35.07 5.6 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.516 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . 0.686 ' O ' HD12 ' A' ' 112' ' ' ILE . 0.2 OUTLIER -78.88 106.23 10.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.82 0.343 . . . . 0.0 110.897 -179.881 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.714 HD11 ' HB2' ' A' ' 20' ' ' LYS . 8.7 tp -43.93 -51.11 7.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.462 ' HB2' ' ND2' ' A' ' 108' ' ' ASN . 3.6 mmmp? -51.2 -31.53 20.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.866 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -78.63 -60.45 2.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.167 179.784 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.792 ' H ' HD12 ' A' ' 112' ' ' ILE . 4.9 mp -51.08 -57.74 2.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.164 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.454 HD13 ' OE1' ' A' ' 19' ' ' GLN . 62.8 mt -40.88 -49.66 3.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.912 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -53.87 -42.77 70.24 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.449 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 1.001 HD23 ' N ' ' A' ' 116' ' ' PHE . 0.2 OUTLIER -64.19 -59.96 3.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.859 0.361 . . . . 0.0 110.95 -179.939 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 1.001 ' N ' HD23 ' A' ' 115' ' ' LEU . 10.9 m-85 -64.45 -16.31 62.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . 0.423 ' CD1' ' C ' ' A' ' 117' ' ' PHE . 9.0 t80 -76.79 -32.53 57.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.868 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 3.0 m -94.62 -46.17 7.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.868 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 8.2 tp -45.55 -54.54 7.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.911 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 25.2 p -47.29 -43.48 22.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 65.4 mtp180 -51.43 -53.2 39.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.914 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . 0.643 ' HB2' HD11 ' A' ' 94' ' ' ILE . 1.0 OUTLIER -42.02 -47.02 4.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.958 -179.9 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 16.5 tptp -72.21 -53.86 11.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.902 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -46.81 126.5 8.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.929 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 50.39 42.07 25.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.946 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . 0.442 ' CD ' ' O ' ' A' ' 126' ' ' GLN . 5.0 pp0? -81.36 41.51 0.62 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 19.3 pt20 -153.64 131.39 11.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.94 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . 0.447 ' NE2' ' HD2' ' A' ' 129' ' ' PRO . 7.8 tm0? -122.06 128.8 25.39 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.57 0.7 . . . . 0.0 110.957 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' PRO . . . . . 0.447 ' HD2' ' NE2' ' A' ' 128' ' ' GLN . 54.5 Cg_endo . . . . . 0 C--N 1.341 0.157 0 C-N-CA 122.696 2.264 . . . . 0.0 112.393 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.504 -0.239 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.0 m -91.71 83.92 5.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.91 0.386 . . . . 0.0 110.857 -179.748 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 82.8 p -84.61 41.99 0.88 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.873 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -136.28 44.98 1.12 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.547 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.8 t 44.62 41.66 5.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.863 0.363 . . . . 0.0 110.847 -179.715 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 7' ' ' GLY . 3.3 t -134.36 150.66 50.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.85 -179.833 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.408 ' C ' ' O ' ' A' ' 6' ' ' SER . . . 37.68 40.39 0.71 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.47 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 22.7 ttmt -100.98 122.42 43.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.789 0.328 . . . . 0.0 110.919 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -124.75 8.79 8.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.855 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 24.8 mttm -126.73 143.54 46.88 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.55 0.69 . . . . 0.0 110.885 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 109.92 2.43 Favored 'Trans proline' 0 C--O 1.231 0.141 0 C-N-CA 122.676 2.251 . . . . 0.0 112.375 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 10.8 p -44.94 135.27 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.086 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 5.2 mp -87.64 149.47 4.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.158 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.517 ' CG ' HD11 ' A' ' 22' ' ' ILE . 34.1 m80 -122.81 84.13 2.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.873 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -41.79 165.0 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.459 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 89.5 mt -39.41 -56.7 1.54 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.768 0.318 . . . . 0.0 110.955 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.452 ' OE2' HD22 ' A' ' 109' ' ' LEU . 27.3 mm-40 -55.0 -42.45 72.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.443 ' HB2' ' C ' ' A' ' 14' ' ' HIS . 0.6 OUTLIER -61.41 -38.04 85.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.839 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.432 ' O ' ' C ' ' A' ' 20' ' ' LYS . 20.5 mt-30 -55.36 -54.87 38.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.9 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' A' ' 19' ' ' GLN . 29.3 tttt -34.39 -41.57 0.12 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.428 ' O ' ' C ' ' A' ' 22' ' ' ILE . 28.8 ttt85 -67.63 -60.4 2.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.854 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.517 HD11 ' CG ' ' A' ' 14' ' ' HIS . 92.7 mt -35.8 -53.87 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.146 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 25.0 m-85 -66.15 -45.79 79.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.854 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.516 HG22 ' ND2' ' A' ' 28' ' ' ASN . 59.3 m -46.19 -55.03 7.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.139 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -62.14 -41.18 98.02 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.863 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 80.8 t90 -57.12 -55.15 38.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.939 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.78 ' HB1' HD13 ' A' ' 56' ' ' ILE . . . -63.66 -50.24 70.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.101 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.516 ' ND2' HG22 ' A' ' 24' ' ' THR . 19.9 m-20 -40.63 -43.37 1.9 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.848 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.55 ' CE1' ' HE2' ' A' ' 33' ' ' LYS . 6.5 t60 -51.71 -46.86 64.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.82 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.44 ' HB2' HG23 ' A' ' 56' ' ' ILE . 82.8 m-85 -63.75 -23.78 67.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.992 -179.862 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.45 ' O ' ' CB ' ' A' ' 36' ' ' HIS . 19.3 mt -80.84 -40.68 24.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.919 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -71.43 -46.45 60.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.072 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.55 ' HE2' ' CE1' ' A' ' 29' ' ' HIS . 12.1 ptpt -57.55 -35.56 70.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.914 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.43 ' O ' ' C ' ' A' ' 35' ' ' GLY . 7.1 t -88.13 38.03 0.84 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.891 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.43 ' C ' ' O ' ' A' ' 34' ' ' SER . . . 35.71 65.33 0.47 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.493 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.567 ' CD2' ' HB3' ' A' ' 38' ' ' ARG . 14.3 t60 -111.75 135.84 51.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.859 0.361 . . . . 0.0 110.848 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 40.3 mttp -97.34 53.89 1.18 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.898 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.567 ' HB3' ' CD2' ' A' ' 36' ' ' HIS . 9.5 ttp-105 -176.05 133.27 0.25 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.865 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 45.5 mt -109.4 -175.46 2.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.938 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.803 HD11 HD11 ' A' ' 56' ' ' ILE . 68.4 mt -102.57 113.05 38.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.143 179.815 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 18.3 mmt180 -83.48 -65.69 0.98 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.864 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.427 ' O ' ' N ' ' A' ' 46' ' ' ASP . 1.0 OUTLIER -115.32 98.06 6.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.822 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.416 HD11 ' CE2' ' A' ' 116' ' ' PHE . 15.2 tp -38.11 -38.38 0.33 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.939 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.831 ' O ' HG23 ' A' ' 48' ' ' THR . 90.7 mt-30 -66.49 -46.99 74.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.931 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.41 ' N ' ' O ' ' A' ' 42' ' ' ASP . 5.0 mm100 -84.27 -8.14 59.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.958 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.772 ' CG ' HG23 ' A' ' 40' ' ' ILE . 0.9 OUTLIER -90.46 -3.61 57.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 179.913 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 15.4 m -127.49 -10.28 4.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.137 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.831 HG23 ' O ' ' A' ' 44' ' ' GLN . 11.2 p -60.18 -42.21 94.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.133 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -81.19 -30.72 34.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.857 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 87.91 -28.59 5.92 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.466 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 60.1 t -55.92 -67.46 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.897 0.379 . . . . 0.0 111.114 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.737 HD13 ' OD2' ' A' ' 46' ' ' ASP . 1.3 tt -54.82 -38.2 67.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.908 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.492 HD11 HD11 ' A' ' 57' ' ' ILE . 1.9 tp -56.04 -55.42 33.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.449 ' O ' ' N ' ' A' ' 56' ' ' ILE . . . -54.81 -45.3 74.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.085 179.845 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.561 ' NE2' ' CE1' ' A' ' 36' ' ' HIS . 14.4 mt-30 -39.11 -27.87 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.922 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.803 HD11 HD11 ' A' ' 40' ' ' ILE . 18.0 mt -90.0 -53.65 8.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.125 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.492 HD11 HD11 ' A' ' 53' ' ' LEU . 66.6 mt -47.99 -46.18 12.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.148 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -58.47 -29.04 65.89 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.907 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.438 HG23 ' O ' ' A' ' 55' ' ' GLN . 98.2 t -82.43 -57.84 4.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.074 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 7.5 p -62.3 -26.08 39.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.098 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.446 ' HB3' ' O ' ' A' ' 57' ' ' ILE . . . -96.28 -10.45 27.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.113 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 18.5 m-80 56.3 32.99 21.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.86 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -139.03 170.54 15.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 20.1 tttt -119.93 137.52 54.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.957 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.471 ' HB ' ' CG1' ' A' ' 68' ' ' ILE . 23.4 mt -97.69 114.03 33.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.131 179.872 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -74.4 -27.84 60.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.877 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.496 ' O ' ' HB2' ' A' ' 84' ' ' ALA . 13.3 m-20 -79.61 44.19 0.61 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.893 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.471 ' CG1' ' HB ' ' A' ' 65' ' ' ILE . 32.8 mm -118.42 128.58 75.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.162 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 46.7 t-20 -75.36 -58.54 3.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.919 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 98.51 -36.6 3.9 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.519 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 33.7 m -129.72 73.78 81.23 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.649 0.738 . . . . 0.0 110.887 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 106.72 1.72 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.689 2.259 . . . . 0.0 112.335 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 23.7 mtmm -109.39 -48.05 3.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.911 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 25.0 t30 -63.59 168.2 4.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.908 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 10.1 tpp180 -71.93 -37.09 70.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.878 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 67.3 p -90.91 -24.27 20.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.845 -179.786 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 6.4 mm-40 -47.09 -47.65 22.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.891 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 14.6 mtt -52.84 -49.96 64.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.902 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.437 ' O ' ' C ' ' A' ' 80' ' ' GLU . 51.0 mm -41.58 -62.82 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.105 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.437 ' C ' ' O ' ' A' ' 79' ' ' ILE . 24.7 mm-40 -35.23 -60.68 0.47 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 21.7 m-20 -39.21 -69.22 0.13 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.849 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.575 HD11 ' O ' ' A' ' 48' ' ' THR . 46.2 mt -52.77 -38.7 28.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.179 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -56.93 -50.19 73.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.89 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.496 ' HB2' ' O ' ' A' ' 67' ' ' ASP . . . -51.21 -44.09 61.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.122 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . 0.44 ' HB3' ' CD1' ' A' ' 57' ' ' ILE . 56.5 m -61.18 -44.1 97.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 -179.895 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.535 ' O ' HG21 ' A' ' 96' ' ' ILE . 53.9 mt -63.37 -54.52 35.52 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.94 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 66.3 m-80 -62.76 -37.28 86.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.869 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.445 ' HE2' HG22 ' A' ' 57' ' ' ILE . 27.3 t80 -67.07 -35.55 80.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.872 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 44.7 mt -74.38 -43.9 54.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.919 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -50.91 -50.61 57.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.085 179.819 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -51.14 -30.25 16.01 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.091 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.411 ' NZ ' ' HB1' ' A' ' 61' ' ' ALA . 22.6 mmtp -74.79 -25.17 58.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.879 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 118.66 38.42 0.77 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.471 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.789 HD11 ' HB2' ' A' ' 122' ' ' TYR . 62.3 mt -122.51 140.43 46.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.877 0.37 . . . . 0.0 111.131 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 10.5 t30 -74.24 121.51 21.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.857 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.535 HG21 ' O ' ' A' ' 86' ' ' LEU . 25.2 pt -119.7 -28.24 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.138 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.431 ' N ' HG13 ' A' ' 96' ' ' ILE . 28.0 mt-30 -36.81 -60.43 0.61 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.93 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -45.02 -44.5 9.07 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.479 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 42.3 mt -64.29 177.01 0.91 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.815 0.341 . . . . 0.0 110.925 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 4.1 m -158.41 112.91 2.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.859 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -47.48 -46.57 27.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.082 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -54.34 -52.35 61.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.914 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -58.37 -47.1 84.92 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.939 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 45.7 mt -57.95 -42.03 81.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.155 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 7.2 ttt-85 -63.24 -28.43 70.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.896 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 48.7 m-80 -73.15 -28.39 62.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.888 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 97.38 25.01 11.41 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.419 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . 0.85 ' O ' HD12 ' A' ' 112' ' ' ILE . 40.6 t-20 -74.16 109.11 7.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.851 0.358 . . . . 0.0 110.92 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.456 ' CD2' HD11 ' A' ' 113' ' ' LEU . 3.1 tp -43.3 -50.74 6.55 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 4.5 mmmp? -51.38 -35.14 37.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.858 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -75.63 -60.75 2.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.095 179.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.85 HD12 ' O ' ' A' ' 108' ' ' ASN . 5.4 mp -52.06 -61.05 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.131 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.456 HD11 ' CD2' ' A' ' 109' ' ' LEU . 90.7 mt -39.12 -42.69 0.96 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.953 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -58.93 -50.04 71.92 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.484 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.945 HD23 ' N ' ' A' ' 116' ' ' PHE . 0.3 OUTLIER -52.09 -59.21 4.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.897 0.38 . . . . 0.0 110.931 -179.941 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.945 ' N ' HD23 ' A' ' 115' ' ' LEU . 10.9 m-85 -64.29 -28.38 69.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . 0.485 ' CD1' ' C ' ' A' ' 117' ' ' PHE . 1.9 t80 -62.92 -34.09 76.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.865 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 46.0 m -94.84 -48.42 6.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.832 -179.774 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 12.6 tp -41.92 -55.57 3.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.908 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 3.0 t -46.01 -44.18 14.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.805 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . 0.444 ' NH1' ' HB3' ' A' ' 121' ' ' ARG . 11.7 mtp-105 -50.1 -54.68 18.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.836 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . 0.789 ' HB2' HD11 ' A' ' 94' ' ' ILE . 2.7 t80 -39.51 -44.64 1.44 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.895 -179.854 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 20.5 tptp -79.31 -44.77 20.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.927 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -38.45 -39.28 0.44 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 33.2 tt0 -93.16 -40.1 10.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.925 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . 0.434 ' O ' ' C ' ' A' ' 127' ' ' GLN . 1.6 tm0? -39.66 -41.01 1.0 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.913 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . 0.434 ' C ' ' O ' ' A' ' 126' ' ' GLN . 8.7 pt20 -35.07 139.15 0.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.912 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -54.65 142.34 53.04 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.654 0.74 . . . . 0.0 110.889 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--N 1.342 0.204 0 C-N-CA 122.68 2.253 . . . . 0.0 112.366 179.996 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.7 m -65.23 158.71 25.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.861 0.362 . . . . 0.0 110.852 -179.719 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.4 t -71.1 160.62 32.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.873 -179.789 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -153.6 127.7 2.23 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.461 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 87.9 p -89.57 164.61 14.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.893 0.378 . . . . 0.0 110.857 -179.759 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 83.3 p -119.54 118.03 29.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.872 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -76.85 -112.7 0.14 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.448 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 34.2 mtmm -102.1 148.8 24.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.809 0.338 . . . . 0.0 110.913 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -90.82 145.14 25.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.926 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.77 152.61 26.05 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.639 0.733 . . . . 0.0 110.879 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 138.56 38.22 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.653 2.235 . . . . 0.0 112.358 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 5.2 p -137.63 142.39 36.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.138 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 35.1 mm -88.9 142.58 12.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.146 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.582 ' CG ' HD11 ' A' ' 22' ' ' ILE . 41.5 m80 -110.57 84.07 1.87 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.875 179.843 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -45.84 172.37 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.532 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.525 ' O ' HD11 ' A' ' 113' ' ' LEU . 95.6 mt -44.8 -59.4 2.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.753 0.311 . . . . 0.0 110.916 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.454 ' HG2' ' N ' ' A' ' 18' ' ' ASP . 1.9 pm0 -55.4 -33.27 63.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.905 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.454 ' N ' ' HG2' ' A' ' 17' ' ' GLU . 1.1 m-20 -71.41 -35.01 70.85 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.536 ' HA ' HD12 ' A' ' 22' ' ' ILE . 22.8 mt-30 -60.68 -43.95 97.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.919 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 35.1 tttt -41.68 -40.73 2.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 17.5 tpt180 -68.61 -50.88 48.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.582 HD11 ' CG ' ' A' ' 14' ' ' HIS . 66.3 mt -48.79 -45.81 15.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.169 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 29.8 m-85 -68.25 -45.25 73.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.492 ' O ' ' ND2' ' A' ' 28' ' ' ASN . 53.3 m -44.41 -51.35 8.71 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.18 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -62.78 -42.98 99.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.849 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 66.9 t90 -53.08 -51.66 61.1 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.882 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.837 ' HB1' HG12 ' A' ' 56' ' ' ILE . . . -67.11 -38.83 86.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.118 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.687 ' OD1' HD22 ' A' ' 39' ' ' LEU . 1.3 m-80 -48.07 -47.77 33.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.866 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 7.7 t60 -48.13 -54.01 14.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.885 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 83.7 m-85 -57.81 -27.5 63.18 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.912 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.561 HD11 HD21 ' A' ' 52' ' ' LEU . 12.0 mt -78.74 -45.79 20.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.886 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.69 -45.15 87.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.101 179.793 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.6 ptmm? -58.29 -35.43 71.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.886 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 38.0 t -91.81 31.79 1.18 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.864 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 46.46 69.63 0.81 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.509 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.535 ' CG ' HD22 ' A' ' 31' ' ' LEU . 6.5 t60 -134.11 78.63 1.77 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.886 0.374 . . . . 0.0 110.841 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.455 ' C ' ' O ' ' A' ' 36' ' ' HIS . 26.4 mttm -34.16 -63.88 0.26 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.911 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.45 ' HB3' ' CD2' ' A' ' 36' ' ' HIS . 47.0 ttm-85 -42.4 151.72 0.11 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.864 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.687 HD22 ' OD1' ' A' ' 28' ' ' ASN . 66.2 mt -135.62 169.98 16.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.932 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.416 HD12 ' HB3' ' A' ' 27' ' ' ALA . 91.8 mt -85.03 103.08 11.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.098 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 37.2 mmt-85 -83.16 -58.05 3.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.848 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.413 ' O ' ' N ' ' A' ' 46' ' ' ASP . 1.1 m-20 -115.15 101.29 8.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.874 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.767 ' O ' HG22 ' A' ' 47' ' ' VAL . 10.9 tp -54.67 -37.73 66.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.893 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.679 ' HG2' HD13 ' A' ' 112' ' ' ILE . 16.8 mt-30 -77.43 4.13 11.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.919 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 9.2 mm-40 -129.92 -19.36 3.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.907 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.413 ' N ' ' O ' ' A' ' 42' ' ' ASP . 42.0 m-20 -87.96 -26.35 22.71 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.864 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.767 HG22 ' O ' ' A' ' 43' ' ' LEU . 34.5 m -90.56 -24.98 5.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.182 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 66.7 p -51.37 -45.03 62.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.13 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -74.46 -29.85 61.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.881 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 83.36 -24.91 5.24 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.479 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 86.5 t -59.16 -64.13 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.846 0.355 . . . . 0.0 111.147 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.561 HD21 HD11 ' A' ' 31' ' ' LEU . 2.0 tt -59.33 -37.98 79.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.913 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.591 HD11 HD11 ' A' ' 57' ' ' ILE . 1.7 tp -55.19 -50.12 70.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.406 ' O ' ' C ' ' A' ' 55' ' ' GLN . . . -60.52 -47.08 87.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.105 179.802 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.653 ' O ' HG23 ' A' ' 59' ' ' VAL . 22.6 mt-30 -37.29 -36.46 0.14 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.935 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.837 HG12 ' HB1' ' A' ' 27' ' ' ALA . 3.2 mp -80.52 -49.35 18.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.132 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.591 HD11 HD11 ' A' ' 53' ' ' LEU . 49.7 mt -54.69 -60.43 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.098 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 44.3 mt-30 -45.0 -25.49 0.32 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.92 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.653 HG23 ' O ' ' A' ' 55' ' ' GLN . 83.1 t -86.25 -69.04 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.147 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.419 HG12 ' O ' ' A' ' 56' ' ' ILE . 5.2 p -46.34 -23.56 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.145 179.866 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.756 ' HB1' ' NZ ' ' A' ' 92' ' ' LYS . . . -100.41 -22.55 15.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.131 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.413 ' N ' ' O ' ' A' ' 59' ' ' VAL . 18.4 t30 70.24 31.31 3.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.937 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -133.19 177.5 7.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.878 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 20.1 tttt -126.11 138.54 53.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.927 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.478 ' HB ' ' CG1' ' A' ' 68' ' ' ILE . 15.0 mt -99.72 115.74 41.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.154 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -78.51 -23.25 46.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.886 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.469 ' O ' ' HB2' ' A' ' 84' ' ' ALA . 4.7 m-20 -83.75 42.3 0.84 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.854 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.478 ' CG1' ' HB ' ' A' ' 65' ' ' ILE . 35.4 mm -116.82 113.25 42.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.104 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 26.3 t30 -54.24 -54.59 37.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.863 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 104.21 -61.38 0.42 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.475 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 4.0 t -116.69 77.47 8.26 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.573 0.701 . . . . 0.0 110.871 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 131.08 20.5 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.732 2.288 . . . . 0.0 112.367 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 27.9 mtmm -129.61 -49.96 1.16 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.881 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -73.31 170.53 14.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.902 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 27.0 ttm180 -61.75 -54.03 47.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.853 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.422 ' HA ' ' CG1' ' A' ' 79' ' ' ILE . 1.3 t -68.01 -37.75 81.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.863 -179.828 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 6.5 mm-40 -39.61 -48.47 2.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.91 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 15.3 mtm -66.87 -37.65 84.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.422 ' CG1' ' HA ' ' A' ' 76' ' ' SER . 36.3 mm -50.43 -52.57 15.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.133 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -52.0 -47.68 64.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.869 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -45.3 -65.23 0.56 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.893 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 15.3 mt -60.83 -45.46 97.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.157 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -48.11 -48.4 33.86 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.831 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.469 ' HB2' ' O ' ' A' ' 67' ' ' ASP . . . -54.77 -43.57 72.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.131 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 32.1 m -61.4 -43.11 99.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.631 ' O ' HG21 ' A' ' 96' ' ' ILE . 42.5 mt -63.39 -52.78 60.19 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.881 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 68.3 m-80 -64.15 -37.94 89.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 16.6 t80 -67.61 -38.62 84.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 55.6 mt -71.35 -42.2 68.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.91 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -49.86 -49.91 47.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.107 179.811 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -52.22 -30.1 25.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.081 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.756 ' NZ ' ' HB1' ' A' ' 61' ' ' ALA . 20.2 mmtp -74.81 -23.06 58.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.862 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 116.84 34.69 1.23 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.492 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.517 HD11 ' HB2' ' A' ' 122' ' ' TYR . 54.7 mt -117.72 137.22 52.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.871 0.367 . . . . 0.0 111.122 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -73.67 119.34 17.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.631 HG21 ' O ' ' A' ' 86' ' ' LEU . 30.9 pt -117.61 -28.8 2.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.13 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.413 ' C ' ' O ' ' A' ' 96' ' ' ILE . 19.4 mm-40 -37.08 -50.93 0.95 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.946 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -57.47 -44.3 93.73 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.491 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 47.4 mt -60.83 174.5 0.6 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.821 0.343 . . . . 0.0 110.899 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 37.9 m -151.41 117.13 5.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.878 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -57.51 -49.8 75.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.115 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -56.21 -40.01 73.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.888 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -65.79 -48.9 70.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.893 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 77.6 mt -55.84 -43.84 75.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.133 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 12.6 ttt-85 -60.49 -34.86 74.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.836 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 43.0 m-20 -68.74 -26.48 65.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.916 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 98.38 25.73 9.92 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.499 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . 0.565 ' O ' HD12 ' A' ' 112' ' ' ILE . 55.1 t30 -74.12 103.8 4.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.853 0.358 . . . . 0.0 110.906 -179.889 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.644 HD13 ' OE1' ' A' ' 44' ' ' GLN . 23.2 tp -39.97 -52.93 2.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.925 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 5.3 mmmm -43.86 -38.87 3.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -72.74 -61.17 1.9 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.1 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.687 ' H ' HD12 ' A' ' 112' ' ' ILE . 5.1 mp -46.92 -57.53 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.178 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.525 HD11 ' O ' ' A' ' 16' ' ' LEU . 28.1 mt -50.02 -48.17 52.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.943 179.861 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -56.91 -41.67 91.87 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.506 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.926 HD23 ' N ' ' A' ' 116' ' ' PHE . 0.4 OUTLIER -59.36 -61.93 2.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.862 0.363 . . . . 0.0 110.912 -179.934 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.926 ' N ' HD23 ' A' ' 115' ' ' LEU . 14.0 m-85 -65.07 -24.25 67.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.858 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . 0.534 ' CD1' ' C ' ' A' ' 117' ' ' PHE . 2.1 t80 -66.23 -36.71 83.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.839 -179.89 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 18.6 m -94.83 -50.01 5.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.855 -179.792 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 13.0 tp -42.5 -55.62 3.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.887 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 17.6 t -44.47 -42.9 7.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.881 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 68.8 mtp180 -47.5 -50.26 23.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.905 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . 0.517 ' HB2' HD11 ' A' ' 94' ' ' ILE . 8.2 t80 -40.06 -55.56 2.05 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.919 -179.85 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 13.7 tptp -67.65 -47.66 68.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.92 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 -39.69 114.79 0.45 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.932 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 6.9 mp0 57.66 54.82 6.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 45.4 tp60 -118.93 44.36 2.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.965 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -147.03 168.38 21.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 4.4 pp0? -71.45 149.91 93.79 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.587 0.708 . . . . 0.0 110.916 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo . . . . . 0 C--O 1.231 0.164 0 C-N-CA 122.716 2.278 . . . . 0.0 112.363 179.949 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.5 m -69.52 137.86 52.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.894 0.378 . . . . 0.0 110.847 -179.782 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 64.2 p -171.17 133.51 0.87 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.838 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 152.48 -175.41 31.11 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.48 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.433 ' O ' ' C ' ' A' ' 6' ' ' SER . 37.0 t -122.11 43.59 2.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.878 0.371 . . . . 0.0 110.826 -179.725 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.433 ' C ' ' O ' ' A' ' 5' ' ' SER . 7.4 t -35.77 -50.52 0.64 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.835 -179.816 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 157.66 171.51 23.72 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.505 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 16.6 tptm -131.94 49.75 2.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.78 0.324 . . . . 0.0 110.874 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -88.51 40.96 0.99 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.9 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 15.6 ptpt -172.32 152.68 2.79 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.553 0.692 . . . . 0.0 110.909 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 134.16 27.36 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.67 2.246 . . . . 0.0 112.354 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.498 ' O ' HG13 ' A' ' 12' ' ' VAL . 11.0 p -38.13 119.87 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.155 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 9.2 mm -113.19 -31.17 2.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.141 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.576 ' CD2' HD11 ' A' ' 22' ' ' ILE . 40.7 m170 62.89 52.16 2.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.852 179.846 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.481 ' N ' ' HB2' ' A' ' 18' ' ' ASP . . . -44.26 158.95 0.14 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.485 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.713 HD11 ' HE2' ' A' ' 110' ' ' LYS . 28.3 mt -35.88 -53.34 0.75 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.806 0.336 . . . . 0.0 110.92 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -64.75 -40.75 95.83 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.867 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.481 ' HB2' ' N ' ' A' ' 15' ' ' GLY . 10.9 m-20 -63.97 -29.43 70.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.491 ' HA ' HD12 ' A' ' 22' ' ' ILE . 33.8 mt-30 -67.19 -49.16 65.65 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 -179.879 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.586 ' HB2' HD11 ' A' ' 109' ' ' LEU . 30.3 tttt -44.0 -56.79 3.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.848 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 8.4 tpt180 -50.78 -53.99 27.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.865 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.576 HD11 ' CD2' ' A' ' 14' ' ' HIS . 84.3 mt -44.53 -47.36 2.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.111 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.502 ' CD1' ' HB3' ' A' ' 116' ' ' PHE . 25.8 m-85 -67.53 -53.05 31.86 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.892 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.407 ' O ' ' ND2' ' A' ' 28' ' ' ASN . 98.1 m -40.91 -53.45 2.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.123 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 21.6 t0 -67.19 -39.39 86.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.828 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 72.6 t90 -55.18 -45.54 75.78 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.939 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.701 ' HB1' HG12 ' A' ' 56' ' ' ILE . . . -71.19 -47.37 57.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.073 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.77 ' OD1' HD22 ' A' ' 39' ' ' LEU . 1.8 m-80 -37.09 -51.92 0.98 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.899 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 9.8 t60 -45.14 -63.69 0.88 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 71.1 m-85 -47.28 -46.78 25.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.889 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.47 HD11 HD21 ' A' ' 52' ' ' LEU . 13.0 mt -56.28 -60.79 2.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.981 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -69.44 -9.42 53.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.08 179.791 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -83.47 -31.88 26.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.87 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.8 t -99.85 27.04 5.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.918 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 57.95 70.81 0.88 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.461 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 8.3 t-80 -116.09 145.86 42.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.852 0.358 . . . . 0.0 110.845 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 5.1 mtpm? -102.86 47.57 0.88 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 25.1 ttt180 -172.35 147.43 1.95 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.77 HD22 ' OD1' ' A' ' 28' ' ' ASN . 17.1 mt -122.65 -178.3 3.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.861 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.856 HG23 ' HB2' ' A' ' 46' ' ' ASP . 96.6 mt -109.06 109.41 28.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.154 179.853 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 75.2 mtt180 -80.01 -64.15 1.25 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.91 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.462 ' O ' ' N ' ' A' ' 45' ' ' GLN . 60.8 m-20 -113.59 102.43 10.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.859 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.512 HD11 ' CE2' ' A' ' 116' ' ' PHE . 12.9 tp -37.06 -47.34 0.73 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.935 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 55.8 mt-30 -57.71 -42.87 84.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.904 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.462 ' N ' ' O ' ' A' ' 42' ' ' ASP . 12.3 mm100 -82.01 -16.76 49.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.927 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.856 ' HB2' HG23 ' A' ' 40' ' ' ILE . 0.2 OUTLIER -80.12 -7.54 58.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.848 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.689 HG12 ' HB2' ' A' ' 53' ' ' LEU . 20.3 m -132.46 34.5 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.07 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.2 p -88.21 -34.35 17.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.149 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.429 ' O ' ' CB ' ' A' ' 81' ' ' ASN . 10.0 m-20 -105.5 -19.23 13.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.875 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 90.32 -27.26 8.69 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.501 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 45.5 t -53.06 -70.51 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.907 0.384 . . . . 0.0 111.149 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.517 ' O ' HD23 ' A' ' 52' ' ' LEU . 1.3 tt -52.72 -36.64 57.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.95 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.689 ' HB2' HG12 ' A' ' 47' ' ' VAL . 1.6 tp -59.17 -50.8 72.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.915 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.13 -40.72 94.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.085 179.788 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.439 ' O ' HG23 ' A' ' 59' ' ' VAL . 21.2 mt-30 -42.5 -30.41 0.34 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.939 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.701 HG12 ' HB1' ' A' ' 27' ' ' ALA . 4.2 mp -88.43 -51.84 11.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.135 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.551 HD11 HD11 ' A' ' 53' ' ' LEU . 24.3 mt -48.1 -56.44 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.132 179.826 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 37.6 mt-30 -48.4 -30.74 5.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.938 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.439 HG23 ' O ' ' A' ' 55' ' ' GLN . 82.9 t -80.01 -68.59 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.093 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 3.5 p -48.52 -24.41 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.142 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -99.22 -21.17 16.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.073 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 15.1 t-20 67.16 35.7 4.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.895 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -137.29 177.99 7.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.908 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 7.0 ttmt -126.61 138.21 53.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.887 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 16.9 mt -101.97 103.23 14.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.15 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -71.6 -14.23 62.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -89.2 36.8 0.83 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.85 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 38.8 mm -114.84 112.2 39.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.115 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 39.2 t30 -48.69 -73.65 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.845 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 128.85 -58.29 0.71 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.503 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 2.1 m -128.76 81.21 71.22 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.627 0.727 . . . . 0.0 110.871 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 107.27 1.81 Allowed 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.705 2.27 . . . . 0.0 112.32 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 30.3 mmtm -96.62 -37.54 10.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.904 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 -79.85 161.86 25.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.884 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 13.9 ttt180 -63.2 -36.93 85.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.91 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.466 ' O ' ' N ' ' A' ' 78' ' ' MET . 58.7 p -82.4 -43.19 17.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 -179.801 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.401 ' C ' ' O ' ' A' ' 76' ' ' SER . 29.2 mt-30 -37.83 -29.37 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.944 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.466 ' N ' ' O ' ' A' ' 76' ' ' SER . 28.5 mtt -73.37 -46.24 50.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.88 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.465 ' N ' ' O ' ' A' ' 76' ' ' SER . 46.6 mm -45.51 -57.3 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.139 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.416 ' O ' ' C ' ' A' ' 81' ' ' ASN . 4.5 mm-40 -42.48 -61.38 1.23 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.897 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.429 ' CB ' ' O ' ' A' ' 49' ' ' ASP . 6.9 m-20 -36.03 -71.04 0.08 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.875 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 15.2 mt -51.54 -37.39 19.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.167 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -58.89 -47.71 84.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.868 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -52.6 -46.88 67.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.095 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . 0.428 ' HB3' ' CD1' ' A' ' 57' ' ' ILE . 68.4 m -58.42 -41.27 84.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.472 ' O ' HD13 ' A' ' 96' ' ' ILE . 50.7 mt -65.96 -49.71 66.92 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.894 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 69.9 m-80 -65.5 -34.26 77.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.882 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 6.6 t80 -70.11 -37.66 75.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.878 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.411 HD21 HG23 ' A' ' 57' ' ' ILE . 29.1 mt -73.07 -39.88 65.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.971 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -54.12 -45.77 72.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.098 179.769 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -57.5 -22.46 44.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.13 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 20.4 mmtp -84.87 -19.37 32.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 114.66 35.64 1.38 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.453 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.444 HD11 ' CB ' ' A' ' 122' ' ' TYR . 58.0 mt -120.63 125.72 74.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.843 0.354 . . . . 0.0 111.086 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -65.06 128.47 35.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.476 ' O ' ' N ' ' A' ' 99' ' ' LEU . 29.6 pt -128.31 -30.81 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.118 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.437 ' N ' HG13 ' A' ' 96' ' ' ILE . 39.3 mm-40 -35.85 -47.73 0.53 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -58.76 -40.36 94.87 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.544 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.476 ' N ' ' O ' ' A' ' 96' ' ' ILE . 44.8 mt -66.66 179.84 0.99 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.856 0.36 . . . . 0.0 110.938 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 16.3 m -157.4 113.16 2.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.845 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -49.06 -50.01 38.71 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.083 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -49.25 -53.89 19.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.856 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -56.08 -44.42 78.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.866 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.598 HG22 ' O ' ' A' ' 47' ' ' VAL . 39.6 mt -58.87 -42.06 84.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.133 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 20.2 ttt-85 -64.73 -29.03 70.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.898 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 -77.04 -22.1 53.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 94.94 20.18 29.14 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.501 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . 0.838 ' O ' HD12 ' A' ' 112' ' ' ILE . 14.9 t-20 -67.17 108.26 2.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.873 0.368 . . . . 0.0 110.892 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.586 HD11 ' HB2' ' A' ' 20' ' ' LYS . 9.7 tp -47.31 -57.48 5.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.894 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.713 ' HE2' HD11 ' A' ' 16' ' ' LEU . 21.3 mmtt -45.38 -28.54 0.88 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.879 179.859 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -82.22 -61.55 1.87 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.109 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.838 HD12 ' O ' ' A' ' 108' ' ' ASN . 5.1 mp -49.71 -54.36 7.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.124 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.42 ' O ' ' CB ' ' A' ' 117' ' ' PHE . 71.4 mt -46.86 -39.58 12.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -62.39 -38.61 96.56 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.472 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.996 HD23 ' N ' ' A' ' 116' ' ' PHE . 0.2 OUTLIER -67.4 -58.96 3.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.859 0.361 . . . . 0.0 110.937 -179.899 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.996 ' N ' HD23 ' A' ' 115' ' ' LEU . 10.6 m-85 -65.43 -16.83 64.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . 0.42 ' CB ' ' O ' ' A' ' 113' ' ' LEU . 1.8 t80 -72.72 -35.73 67.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.89 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 41.5 p -94.38 -47.14 6.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.863 -179.804 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 9.2 tp -46.2 -49.71 16.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.925 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 9.1 t -53.95 -44.68 70.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 46.4 mtp85 -55.45 -50.2 70.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.857 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . 0.444 ' CB ' HD11 ' A' ' 94' ' ' ILE . 3.2 t80 -42.26 -36.55 1.26 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.907 -179.866 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . 0.433 ' O ' ' C ' ' A' ' 124' ' ' GLN . 19.1 tptt -85.29 -50.8 7.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.939 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . 0.433 ' C ' ' O ' ' A' ' 123' ' ' LYS . 32.9 mm-40 -34.39 -49.62 0.39 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.885 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 94.3 mt-30 -80.56 -48.32 12.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.942 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 36.9 tp60 -59.26 88.89 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.944 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 36.3 mm-40 -129.95 -51.04 1.13 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.928 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -47.35 145.11 4.04 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.631 0.729 . . . . 0.0 110.887 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo . . . . . 0 C--N 1.342 0.209 0 C-N-CA 122.681 2.254 . . . . 0.0 112.378 179.945 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 N-CA-C 112.438 -0.265 . . . . 0.0 112.438 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.1 t -135.3 115.96 13.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.862 0.363 . . . . 0.0 110.866 -179.736 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.7 m -81.74 -48.35 11.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.853 -179.795 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 148.98 110.93 0.57 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.471 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.8 t -44.35 122.63 3.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.885 0.374 . . . . 0.0 110.869 -179.748 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.7 t -66.29 112.94 4.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.857 -179.798 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -89.77 178.55 43.98 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.487 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 55.2 mttm -76.1 -61.68 1.86 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.813 0.339 . . . . 0.0 110.886 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 13.1 ttp180 -152.2 133.59 14.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.848 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 7.4 mtpm? -145.04 159.14 50.72 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.532 0.682 . . . . 0.0 110.912 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 110.22 2.51 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.736 2.29 . . . . 0.0 112.334 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 14.6 p -135.25 132.73 52.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.109 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 5.2 mp -99.96 151.29 5.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.109 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.598 ' CG ' HD11 ' A' ' 22' ' ' ILE . 82.8 m-70 -108.44 84.07 1.88 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.835 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.439 ' O ' ' C ' ' A' ' 16' ' ' LEU . . . -51.06 165.96 0.7 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.443 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.439 ' C ' ' O ' ' A' ' 15' ' ' GLY . 53.6 mt -35.4 -59.0 0.56 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.817 0.342 . . . . 0.0 110.931 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -53.2 -46.35 68.99 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.903 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -59.68 -41.72 91.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.857 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.64 ' HA ' HD12 ' A' ' 22' ' ' ILE . 86.0 mt-30 -52.63 -51.85 58.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.926 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.414 ' N ' HD21 ' A' ' 113' ' ' LEU . 41.1 tttt -38.36 -55.27 1.38 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.941 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.4 tpp180 -54.05 -52.07 62.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.87 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.64 HD12 ' HA ' ' A' ' 19' ' ' GLN . 85.0 mt -45.15 -44.47 3.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.074 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 31.2 m-85 -71.92 -50.65 27.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.937 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.428 ' O ' ' ND2' ' A' ' 28' ' ' ASN . 98.0 m -40.71 -52.22 2.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.176 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -61.59 -39.93 92.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.858 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 75.1 t90 -60.08 -47.69 84.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.931 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.572 ' HB1' HG12 ' A' ' 56' ' ' ILE . . . -70.73 -41.13 72.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.076 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.428 ' ND2' ' O ' ' A' ' 24' ' ' THR . 1.8 m-80 -48.19 -52.69 19.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 8.0 t60 -43.08 -52.5 5.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.882 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 91.1 m-85 -60.74 -30.2 69.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.945 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.579 HD11 HD21 ' A' ' 52' ' ' LEU . 10.9 mt -74.92 -41.29 59.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.906 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -70.56 -45.58 65.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.095 179.789 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 4.3 ptmm? -59.88 -34.68 73.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.929 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.3 t -88.86 31.57 0.85 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.832 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 47.18 70.66 0.66 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.507 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.47 ' CB ' ' O ' ' A' ' 31' ' ' LEU . 3.9 t-80 -131.11 95.72 3.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.872 0.368 . . . . 0.0 110.868 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 45.1 mttp -48.9 -54.14 16.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.932 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.478 ' HG2' ' N ' ' A' ' 39' ' ' LEU . 23.5 ttm180 -64.92 148.66 51.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.867 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.478 ' N ' ' HG2' ' A' ' 38' ' ' ARG . 83.0 mt -129.36 -175.16 3.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.917 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.771 HG23 ' CG ' ' A' ' 46' ' ' ASP . 97.3 mt -98.99 113.22 33.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.148 179.833 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 28.0 mtp180 -88.14 -60.56 1.93 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.846 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.45 ' N ' ' OD1' ' A' ' 46' ' ' ASP . 28.5 m-20 -115.15 98.45 6.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.921 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.592 HD11 ' CE2' ' A' ' 116' ' ' PHE . 12.0 tp -46.91 -33.4 4.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.671 ' NE2' HD13 ' A' ' 109' ' ' LEU . 24.6 mt-30 -70.02 -41.3 74.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.89 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 18.6 mt-30 -100.38 14.1 32.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.771 ' CG ' HG23 ' A' ' 40' ' ' ILE . 0.9 OUTLIER -102.74 -35.98 8.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 179.947 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.413 ' O ' HG22 ' A' ' 104' ' ' ILE . 23.0 m -102.91 34.91 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.092 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 34.9 p -84.48 -36.84 21.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.12 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.474 ' O ' ' CB ' ' A' ' 81' ' ' ASN . 0.4 OUTLIER -97.37 -20.37 17.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.851 179.88 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 89.04 -28.99 6.19 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.482 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 84.8 t -46.76 -64.59 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.829 0.347 . . . . 0.0 111.119 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.579 HD21 HD11 ' A' ' 31' ' ' LEU . 2.4 tt -57.14 -39.03 74.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.783 HD11 HD11 ' A' ' 57' ' ' ILE . 5.4 tp -53.92 -54.95 31.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -54.29 -44.9 72.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.084 179.802 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.482 ' NE2' ' HG ' ' A' ' 52' ' ' LEU . 28.1 mt-30 -39.39 -37.0 0.41 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.909 -179.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.572 HG12 ' HB1' ' A' ' 27' ' ' ALA . 5.1 mp -85.01 -47.21 17.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.13 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.783 HD11 HD11 ' A' ' 53' ' ' LEU . 62.0 mt -53.99 -58.92 2.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.143 179.808 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -47.99 -31.35 5.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.906 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 41.5 t -78.58 -67.39 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.076 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.471 HG12 ' O ' ' A' ' 56' ' ' ILE . 7.1 p -53.51 -23.26 7.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.199 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -99.94 -12.53 19.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.141 179.831 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 9.5 m-80 56.09 41.51 29.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.912 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -145.4 162.37 37.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.1 tppt? -111.75 136.14 51.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.858 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.463 ' HB ' ' CG1' ' A' ' 68' ' ' ILE . 18.8 mt -99.2 110.75 27.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.134 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -74.77 -28.5 60.77 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.888 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.415 ' O ' ' HB2' ' A' ' 84' ' ' ALA . 1.7 m-20 -79.49 43.57 0.56 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.878 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.463 ' CG1' ' HB ' ' A' ' 65' ' ' ILE . 36.5 mm -116.44 134.17 60.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.114 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.4 ' ND2' ' H ' ' A' ' 71' ' ' CYS . 3.5 t30 -123.44 100.31 6.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -80.76 37.44 2.3 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.494 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . 0.4 ' H ' ' ND2' ' A' ' 69' ' ' ASN . 3.3 t -134.94 57.39 21.15 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.585 0.707 . . . . 0.0 110.884 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.85 80.13 0.93 Allowed 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.676 2.251 . . . . 0.0 112.263 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 8.2 mmtp -87.82 -47.3 8.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.952 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -99.51 149.23 23.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 9.8 ptt-85 -47.49 -25.79 1.2 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.87 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.451 ' O ' ' N ' ' A' ' 79' ' ' ILE . 4.5 m -80.6 -48.66 12.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.89 -179.784 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.433 ' C ' ' O ' ' A' ' 76' ' ' SER . 10.5 mm100 -35.53 -55.03 0.68 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.919 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 17.1 mtt -50.6 -43.74 56.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.875 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.451 ' N ' ' O ' ' A' ' 76' ' ' SER . 48.4 mm -41.58 -64.2 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.155 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.428 ' O ' ' C ' ' A' ' 81' ' ' ASN . 8.4 mp0 -42.3 -61.02 1.28 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.474 ' CB ' ' O ' ' A' ' 49' ' ' ASP . 54.4 m-20 -35.83 -64.4 0.31 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.883 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 22.7 mt -58.83 -40.71 80.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.116 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -52.62 -55.25 23.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.854 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.415 ' HB2' ' O ' ' A' ' 67' ' ' ASP . . . -47.55 -42.34 23.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.076 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 60.9 m -63.39 -49.06 75.27 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.907 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.474 ' O ' HD13 ' A' ' 96' ' ' ILE . 61.6 mt -55.12 -48.49 73.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.941 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 66.9 m-80 -69.15 -42.16 76.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.42 ' CD1' ' C ' ' A' ' 88' ' ' PHE . 1.9 t80 -58.62 -48.07 82.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.426 HD22 ' CD1' ' A' ' 94' ' ' ILE . 95.9 mt -59.16 -49.55 77.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.933 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -47.31 -41.99 20.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.124 179.801 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -63.75 -36.25 83.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.126 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 52.8 mmtt -69.81 -28.5 65.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 123.15 39.67 0.51 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.509 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.486 HD11 ' HB2' ' A' ' 122' ' ' TYR . 73.8 mt -121.98 126.32 74.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.796 0.332 . . . . 0.0 111.153 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -71.21 110.83 6.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.474 HD13 ' O ' ' A' ' 86' ' ' LEU . 36.8 pt -104.24 -29.55 2.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.136 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.416 ' C ' ' O ' ' A' ' 96' ' ' ILE . 13.3 mt-30 -36.87 116.69 0.46 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.883 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 123.75 -38.03 2.55 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.485 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 90.4 mt -62.87 176.84 0.63 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.783 0.325 . . . . 0.0 110.918 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 16.7 m -150.73 106.57 3.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.843 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -46.12 -43.05 14.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.131 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -60.07 -55.35 35.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.877 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -50.77 -40.83 55.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.873 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.413 HG22 ' O ' ' A' ' 47' ' ' VAL . 82.6 mt -65.89 -41.08 89.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.164 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 12.2 ttt-85 -62.09 -36.35 81.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.91 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 80.9 m-20 -70.74 -26.49 63.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.922 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 97.25 34.13 5.72 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.441 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . 0.781 ' O ' HD12 ' A' ' 112' ' ' ILE . 53.3 t30 -78.6 108.33 11.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.866 0.365 . . . . 0.0 110.89 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.671 HD13 ' NE2' ' A' ' 44' ' ' GLN . 9.4 tp -40.8 -52.69 2.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.935 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 14.5 mmtm -47.39 -42.24 21.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.879 179.814 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -70.47 -61.73 1.66 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.113 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.781 HD12 ' O ' ' A' ' 108' ' ' ASN . 5.3 mp -48.58 -63.65 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.175 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.473 ' CD1' ' HG ' ' A' ' 109' ' ' LEU . 67.9 mt -41.19 -41.5 1.83 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.943 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -63.05 -52.01 51.02 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.492 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.716 HD23 ' N ' ' A' ' 116' ' ' PHE . 0.1 OUTLIER -50.78 -51.88 46.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.913 0.387 . . . . 0.0 110.921 -179.953 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.716 ' N ' HD23 ' A' ' 115' ' ' LEU . 9.2 m-85 -73.15 -32.34 64.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.918 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . 0.482 ' CD1' ' C ' ' A' ' 117' ' ' PHE . 3.3 t80 -61.26 -33.76 74.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.888 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 25.5 m -94.64 -50.89 4.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.796 -179.731 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.4 ' O ' ' HB3' ' A' ' 122' ' ' TYR . 13.5 tp -41.35 -58.32 1.89 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.943 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 43.6 t -40.41 -48.28 2.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.846 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 55.5 mtp180 -40.87 -46.62 2.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.853 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . 0.486 ' HB2' HD11 ' A' ' 94' ' ' ILE . 23.4 t80 -43.62 -48.74 7.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.904 -179.85 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . 0.434 ' O ' ' C ' ' A' ' 124' ' ' GLN . 14.1 tptp -83.82 -53.03 5.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.893 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . 0.434 ' C ' ' O ' ' A' ' 123' ' ' LYS . 18.5 mm100 -34.84 -45.78 0.27 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.909 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -61.05 -62.1 2.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.908 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -69.65 82.96 0.43 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.944 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 67.5 mt-30 -89.02 107.05 18.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.907 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . 0.437 ' N ' ' CD ' ' A' ' 129' ' ' PRO . 23.7 mp0 57.66 54.58 6.67 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.573 0.701 . . . . 0.0 110.895 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' PRO . . . . . 0.437 ' CD ' ' N ' ' A' ' 128' ' ' GLN . 53.5 Cg_endo . . . . . 0 C--N 1.341 0.164 0 C-N-CA 122.668 2.245 . . . . 0.0 112.347 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.509 -0.237 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 79.6 p -152.76 170.05 21.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.865 0.364 . . . . 0.0 110.834 -179.714 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 77.7 p -174.38 149.86 1.39 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.844 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 120.33 123.91 3.11 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.54 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 84.3 p -154.77 144.85 21.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.912 0.387 . . . . 0.0 110.848 -179.687 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 65.9 p -153.85 149.5 27.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.9 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -131.48 135.29 8.13 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.524 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 58.5 mttt -115.93 109.14 17.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.761 0.315 . . . . 0.0 110.902 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 11.5 mpt_? -74.0 81.58 1.71 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 14.2 pttt -134.6 143.6 47.3 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.583 0.706 . . . . 0.0 110.892 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 107.34 1.83 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.689 2.26 . . . . 0.0 112.338 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 5.8 p -145.2 138.64 21.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.148 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 34.5 mm -87.8 144.53 9.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.115 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.635 ' CG ' HD11 ' A' ' 22' ' ' ILE . 54.8 m80 -107.57 83.51 1.82 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.861 179.864 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.435 ' O ' ' C ' ' A' ' 16' ' ' LEU . . . -41.31 161.22 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.502 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.464 HD11 ' NZ ' ' A' ' 110' ' ' LYS . 55.3 mt -35.57 -56.81 0.65 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.788 0.328 . . . . 0.0 110.899 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -55.36 -45.15 76.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.434 ' HB2' ' C ' ' A' ' 14' ' ' HIS . 1.7 m-20 -58.14 -36.92 73.67 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.866 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.574 ' HA ' HD12 ' A' ' 22' ' ' ILE . 62.8 mt-30 -59.93 -46.0 90.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.92 -179.887 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.674 ' HB2' HD11 ' A' ' 109' ' ' LEU . 42.6 tttt -42.55 -45.35 4.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.923 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 24.7 ttp180 -66.33 -54.42 24.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.893 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.635 HD11 ' CG ' ' A' ' 14' ' ' HIS . 95.2 mt -39.05 -52.91 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.097 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.45 ' CD1' ' HB3' ' A' ' 116' ' ' PHE . 38.4 m-85 -64.06 -49.34 72.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.912 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 98.5 m -43.31 -60.86 1.53 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.118 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.406 ' OD1' ' C ' ' A' ' 25' ' ' ASP . 20.2 t0 -52.9 -45.84 67.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.823 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 68.1 t90 -53.17 -51.36 62.3 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.874 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.637 ' HB1' HG12 ' A' ' 56' ' ' ILE . . . -64.02 -45.21 89.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.062 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.938 ' OD1' HD22 ' A' ' 39' ' ' LEU . 2.1 m-80 -42.92 -54.26 4.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.866 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.427 ' CE1' ' HD3' ' A' ' 33' ' ' LYS . 0.1 OUTLIER -41.58 -52.08 3.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.832 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.735 ' CE2' HG23 ' A' ' 60' ' ' VAL . 97.5 m-85 -57.81 -32.58 67.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 -179.829 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.628 HD11 HD21 ' A' ' 52' ' ' LEU . 18.0 mt -75.77 -54.16 7.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.956 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.19 -37.73 78.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.089 179.781 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.427 ' HD3' ' CE1' ' A' ' 29' ' ' HIS . 27.6 pttt -71.05 -31.26 67.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.907 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 4.6 t -85.85 -2.13 57.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.892 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 83.78 69.11 1.39 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.502 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 4.1 m-70 -128.13 137.91 52.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.874 0.368 . . . . 0.0 110.824 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 27.1 mtpp -93.99 -26.75 16.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 15.0 ttm180 -94.35 117.25 29.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.833 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.938 HD22 ' OD1' ' A' ' 28' ' ' ASN . 62.0 mt -93.39 176.51 6.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.891 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.801 HG23 ' CB ' ' A' ' 46' ' ' ASP . 83.7 mt -92.77 95.46 5.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.122 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 76.4 mtm180 -69.29 -61.97 1.57 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.869 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.463 ' O ' ' N ' ' A' ' 45' ' ' GLN . 0.5 OUTLIER -114.99 99.74 7.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.844 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.493 HD11 ' CE2' ' A' ' 116' ' ' PHE . 15.8 tp -33.75 -59.44 0.4 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.925 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 1.011 ' O ' HG23 ' A' ' 48' ' ' THR . 58.2 mt-30 -48.01 -44.35 30.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.923 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.463 ' N ' ' O ' ' A' ' 42' ' ' ASP . 11.9 mm100 -77.52 -20.43 54.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.939 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.801 ' CB ' HG23 ' A' ' 40' ' ' ILE . 0.2 OUTLIER -81.65 -6.17 58.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.823 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 26.0 m -124.33 -22.26 2.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.135 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 1.011 HG23 ' O ' ' A' ' 44' ' ' GLN . 15.0 p -48.34 -44.86 34.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.146 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -81.6 -29.97 33.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.898 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 87.36 -27.82 6.07 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.487 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 60.1 t -56.55 -65.63 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.845 0.355 . . . . 0.0 111.145 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.628 HD21 HD11 ' A' ' 31' ' ' LEU . 1.5 tt -57.63 -35.8 70.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.92 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.593 HD12 ' O ' ' A' ' 53' ' ' LEU . 1.2 tp -56.82 -53.74 54.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.91 179.866 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -58.89 -43.01 90.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.133 179.776 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.642 ' O ' HG23 ' A' ' 59' ' ' VAL . 16.6 mt-30 -40.15 -37.15 0.58 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.891 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.637 HG12 ' HB1' ' A' ' 27' ' ' ALA . 3.2 mp -80.09 -52.98 13.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.183 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.619 ' CG2' ' CE1' ' A' ' 88' ' ' PHE . 55.8 mt -47.71 -49.0 10.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.109 179.813 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -56.56 -38.24 71.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.905 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.642 HG23 ' O ' ' A' ' 55' ' ' GLN . 58.0 t -73.34 -67.26 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.122 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.735 HG23 ' CE2' ' A' ' 30' ' ' TYR . 14.7 p -52.09 -30.37 12.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.102 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.532 ' HB3' ' O ' ' A' ' 57' ' ' ILE . . . -92.97 -16.64 24.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.085 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 59.4 m-20 61.41 39.53 15.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.881 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -141.85 164.36 30.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.927 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 6.6 ptmt -112.98 137.99 50.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.872 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.454 ' HB ' ' CG1' ' A' ' 68' ' ' ILE . 12.8 mt -107.36 108.93 26.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.131 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -74.33 -16.52 60.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.894 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.422 ' HB3' ' HB2' ' A' ' 84' ' ' ALA . 8.5 m-20 -87.0 34.75 0.68 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.867 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.454 ' CG1' ' HB ' ' A' ' 65' ' ' ILE . 31.1 mm -115.92 146.66 20.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.095 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.447 ' O ' ' C ' ' A' ' 70' ' ' GLY . 19.5 t30 -107.26 107.08 17.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.915 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.447 ' C ' ' O ' ' A' ' 69' ' ' ASN . . . -34.26 -58.39 0.67 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.484 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 43.3 t -139.72 118.19 8.72 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.589 0.709 . . . . 0.0 110.876 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 127.46 14.63 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.667 2.245 . . . . 0.0 112.312 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 35.9 mttt -103.66 -35.26 8.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -102.22 155.97 17.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.849 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.405 ' C ' ' HD3' ' A' ' 75' ' ' ARG . 0.2 OUTLIER -58.97 -28.19 66.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.873 -179.949 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.497 ' O ' ' N ' ' A' ' 78' ' ' MET . 4.0 m -88.75 -40.92 12.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.818 -179.754 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 11.9 mm-40 -37.77 -27.75 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.907 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.497 ' N ' ' O ' ' A' ' 76' ' ' SER . 9.5 mtt -70.04 -46.62 64.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.857 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.461 ' N ' ' O ' ' A' ' 76' ' ' SER . 26.0 mm -41.33 -53.71 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.132 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -49.46 -45.5 46.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.871 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -50.09 -65.88 0.49 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.919 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 33.4 mt -57.42 -43.81 83.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.105 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -51.58 -55.69 17.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.862 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.422 ' HB2' ' HB3' ' A' ' 67' ' ' ASP . . . -48.71 -44.74 38.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.105 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . 0.435 ' HB3' ' CD1' ' A' ' 57' ' ' ILE . 60.2 m -61.06 -49.11 78.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.876 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 41.9 mt -56.01 -49.69 72.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.92 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 69.2 m-80 -67.35 -36.35 81.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.923 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.619 ' CE1' ' CG2' ' A' ' 57' ' ' ILE . 0.4 OUTLIER -64.01 -39.21 93.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 88.2 mt -67.29 -43.84 80.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.948 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -57.04 -38.7 73.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.12 179.773 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -65.77 -32.48 74.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.11 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 61.5 mmtt -73.09 -23.43 60.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 117.1 39.24 0.82 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.506 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.631 HD11 ' HB2' ' A' ' 122' ' ' TYR . 71.3 mt -121.98 144.01 32.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.858 0.361 . . . . 0.0 111.165 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -84.12 111.64 19.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.923 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 27.1 pt -106.84 -23.62 4.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.129 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 41.4 mm-40 -39.06 127.69 1.66 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.905 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 115.12 -37.8 3.36 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.485 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 72.4 mt -68.49 172.04 6.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.811 0.338 . . . . 0.0 110.908 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 5.9 m -149.87 111.13 4.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -46.5 -40.18 12.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.106 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -63.14 -53.91 46.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.856 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 53.9 mm-40 -50.7 -43.82 57.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 66.0 mt -60.36 -44.84 96.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.112 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.465 ' O ' HG22 ' A' ' 48' ' ' THR . 0.8 OUTLIER -53.51 -42.12 67.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.882 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 16.1 m-80 -64.48 -29.09 70.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.866 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . 0.473 ' O ' ' NE2' ' A' ' 44' ' ' GLN . . . 99.13 26.13 9.06 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.524 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . 0.745 ' O ' HD12 ' A' ' 112' ' ' ILE . 14.2 t30 -70.33 99.48 1.56 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.853 0.359 . . . . 0.0 110.882 -179.876 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.674 HD11 ' HB2' ' A' ' 20' ' ' LYS . 9.4 tp -36.02 -60.36 0.55 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.895 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.464 ' NZ ' HD11 ' A' ' 16' ' ' LEU . 12.8 mmtm -39.85 -46.92 2.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 179.852 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -64.63 -63.56 1.09 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.08 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.745 HD12 ' O ' ' A' ' 108' ' ' ASN . 5.4 mp -48.41 -65.33 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.132 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.483 HD11 ' HG ' ' A' ' 109' ' ' LEU . 96.5 mt -35.78 -39.77 0.16 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -61.43 -51.53 57.28 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.485 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.987 HD23 ' N ' ' A' ' 116' ' ' PHE . 0.2 OUTLIER -50.77 -59.71 3.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.852 0.358 . . . . 0.0 110.927 -179.91 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.987 ' N ' HD23 ' A' ' 115' ' ' LEU . 11.0 m-85 -63.72 -32.78 74.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.886 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 21.8 t80 -57.66 -36.91 72.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.885 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 4.0 m -92.54 -52.0 4.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.864 -179.785 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 6.7 tp -41.71 -50.8 4.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.934 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 34.6 p -49.37 -44.08 44.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.863 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 66.3 mtp180 -48.38 -52.09 23.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.9 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . 0.631 ' HB2' HD11 ' A' ' 94' ' ' ILE . 25.8 t80 -40.2 -55.42 2.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.953 -179.867 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . 0.407 ' O ' ' C ' ' A' ' 124' ' ' GLN . 23.8 tptt -70.3 -49.04 53.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.9 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . 0.407 ' C ' ' O ' ' A' ' 123' ' ' LYS . 74.2 mt-30 -37.77 -64.47 0.39 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.905 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 22.5 mt-30 -41.64 -61.43 1.09 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.901 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -77.54 52.02 0.94 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.903 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -40.55 127.88 2.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.928 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 4.5 pm0 -71.18 146.33 92.24 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.594 0.712 . . . . 0.0 110.884 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--N 1.342 0.186 0 C-N-CA 122.697 2.265 . . . . 0.0 112.346 -179.996 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 N-CA-C 112.489 -0.245 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.5 m -66.43 148.87 51.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.922 0.392 . . . . 0.0 110.846 -179.744 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 90.4 p -113.75 136.93 52.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.851 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -90.95 -151.02 25.87 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.475 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.7 m -113.34 129.71 56.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.9 0.381 . . . . 0.0 110.796 -179.657 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.4 t -73.21 98.78 2.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.839 -179.83 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 170.04 114.3 0.31 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.492 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.98 38.1 4.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.757 0.313 . . . . 0.0 110.883 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 9.6 mmm180 -69.77 -53.33 18.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.866 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 34.4 mmtm -58.81 154.25 37.99 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.572 0.701 . . . . 0.0 110.891 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 132.27 22.91 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.707 2.271 . . . . 0.0 112.317 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.642 HG21 ' CE1' ' A' ' 14' ' ' HIS . 13.2 p -109.32 164.01 6.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.111 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.566 ' N ' HG22 ' A' ' 12' ' ' VAL . 3.7 mt -118.82 -32.2 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.174 179.869 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.657 ' CG ' HD11 ' A' ' 22' ' ' ILE . 5.2 m-70 62.36 50.81 3.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.87 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.482 ' N ' ' HB2' ' A' ' 18' ' ' ASP . . . -42.61 166.61 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.463 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.692 HD11 ' NZ ' ' A' ' 110' ' ' LYS . 17.4 mt -42.27 -51.32 4.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.762 0.315 . . . . 0.0 110.922 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -65.94 -40.7 91.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.918 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.482 ' HB2' ' N ' ' A' ' 15' ' ' GLY . 24.0 m-20 -60.22 -39.1 85.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.876 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 -58.7 -40.84 84.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.895 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.56 ' HB2' HD11 ' A' ' 109' ' ' LEU . 47.2 tttt -48.87 -33.43 10.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.906 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.459 ' HB2' ' CZ ' ' A' ' 21' ' ' ARG . 0.4 OUTLIER -75.63 -47.56 25.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.854 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.657 HD11 ' CG ' ' A' ' 14' ' ' HIS . 94.1 mt -48.4 -51.04 11.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.119 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.579 ' CD1' ' HB3' ' A' ' 116' ' ' PHE . 34.6 m-85 -68.34 -47.52 67.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.948 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.468 ' O ' ' ND2' ' A' ' 28' ' ' ASN . 26.3 m -43.77 -51.57 7.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.104 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -66.74 -39.56 87.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.895 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 66.0 t90 -53.82 -49.53 68.17 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.852 ' HB1' HG12 ' A' ' 56' ' ' ILE . . . -69.35 -39.19 78.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.114 179.872 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.931 ' OD1' HD22 ' A' ' 39' ' ' LEU . 1.8 m-80 -48.85 -33.22 10.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.903 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 17.2 t60 -63.75 -45.06 91.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.845 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.427 ' HA ' ' CD ' ' A' ' 33' ' ' LYS . 92.8 m-85 -69.5 -16.1 63.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.931 -179.882 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 34.5 mt -89.81 -51.36 5.54 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.901 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.73 -23.55 67.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.143 179.735 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.427 ' CD ' ' HA ' ' A' ' 30' ' ' TYR . 9.9 ptmm? -78.44 -35.92 46.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.864 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.7 m -82.9 2.07 36.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.865 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 80.94 66.21 1.64 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.493 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 4.6 m-70 -119.37 141.22 49.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.869 0.366 . . . . 0.0 110.852 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 43.3 mttm -95.24 -25.19 16.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.869 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.431 ' HB3' ' NH1' ' A' ' 38' ' ' ARG . 17.2 ttm105 -95.78 140.94 29.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.866 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.931 HD22 ' OD1' ' A' ' 28' ' ' ASN . 28.4 mt -115.23 -179.84 3.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.943 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.846 HG23 ' CG ' ' A' ' 46' ' ' ASP . 62.2 mt -99.34 115.14 39.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.159 179.821 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 8.3 mmp_? -95.3 -56.42 2.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.858 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.495 ' N ' ' OD2' ' A' ' 46' ' ' ASP . 0.5 OUTLIER -111.65 98.87 7.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.857 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.583 HD11 ' CE2' ' A' ' 116' ' ' PHE . 13.0 tp -51.76 -27.28 11.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 44.2 mt-30 -74.45 -40.46 61.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.934 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 17.9 mt-30 -100.86 7.32 43.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.942 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.846 ' CG ' HG23 ' A' ' 40' ' ' ILE . 2.1 m-20 -97.54 -3.4 39.82 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.67 HG12 ' HB2' ' A' ' 53' ' ' LEU . 35.1 m -130.43 0.73 2.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.15 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.579 HG22 ' O ' ' A' ' 105' ' ' ARG . 1.1 p -58.32 -40.82 83.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.106 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.87 ' OD1' HG23 ' A' ' 51' ' ' VAL . 15.6 t0 -85.09 -29.1 25.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.885 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 86.62 -11.0 65.2 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.499 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.87 HG23 ' OD1' ' A' ' 49' ' ' ASP . 54.5 t -69.14 -67.54 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.857 0.361 . . . . 0.0 111.148 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.612 ' O ' HD23 ' A' ' 52' ' ' LEU . 1.7 tt -55.99 -29.03 59.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.954 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.67 ' HB2' HG12 ' A' ' 47' ' ' VAL . 1.1 tp -64.79 -61.99 1.85 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.931 179.85 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -50.16 -38.1 37.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.077 179.786 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.672 ' O ' HG23 ' A' ' 59' ' ' VAL . 10.5 mt-30 -43.17 -36.03 1.58 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.884 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.852 HG12 ' HB1' ' A' ' 27' ' ' ALA . 4.5 mp -81.76 -53.53 11.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.123 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 30.6 mt -46.87 -58.4 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.092 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.405 ' CB ' ' O ' ' A' ' 63' ' ' GLU . 33.0 mt-30 -48.08 -24.87 1.22 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.898 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.672 HG23 ' O ' ' A' ' 55' ' ' GLN . 42.1 t -85.9 -65.0 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.152 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 6.8 p -54.95 -19.36 4.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.125 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.604 ' HB1' ' HE3' ' A' ' 92' ' ' LYS . . . -111.43 -3.82 15.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.08 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 45.4 t30 47.6 44.89 17.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.882 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.405 ' O ' ' CB ' ' A' ' 58' ' ' GLN . 5.0 tp10 -140.53 168.58 19.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.876 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 9.4 ttmm -118.65 139.34 51.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.906 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.469 ' CG2' HG12 ' A' ' 68' ' ' ILE . 32.9 mt -102.8 96.44 4.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.103 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -70.33 -7.25 41.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.87 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.438 ' O ' ' HB2' ' A' ' 84' ' ' ALA . 0.9 OUTLIER -95.21 30.33 2.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.875 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.469 HG12 ' CG2' ' A' ' 65' ' ' ILE . 30.8 mm -111.73 136.18 48.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.155 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 41.6 t30 -73.25 -72.74 0.24 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 121.48 -50.93 0.81 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.499 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 17.8 m -132.32 78.59 67.88 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.601 0.715 . . . . 0.0 110.859 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.454 ' CG ' ' OD2' ' A' ' 49' ' ' ASP . 54.2 Cg_endo -69.76 132.31 23.07 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.653 2.236 . . . . 0.0 112.367 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.409 ' C ' ' HD3' ' A' ' 73' ' ' LYS . 0.0 OUTLIER -121.62 -35.58 3.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.877 179.933 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.415 ' HB3' ' CG ' ' A' ' 77' ' ' GLN . 27.7 t-20 -78.98 167.07 21.63 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.891 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 13.4 tpp180 -68.27 -45.73 72.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.893 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.403 ' O ' ' N ' ' A' ' 79' ' ' ILE . 5.6 m -79.6 -33.3 41.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.897 -179.84 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.415 ' CG ' ' HB3' ' A' ' 74' ' ' ASN . 26.7 mm-40 -38.01 -46.47 1.0 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.945 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 12.6 mtt -59.82 -45.3 92.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.869 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.403 ' N ' ' O ' ' A' ' 76' ' ' SER . 37.2 mm -42.52 -55.65 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.113 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 33.4 mm-40 -49.96 -55.86 12.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -38.29 -67.05 0.22 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.898 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 20.4 mt -57.17 -37.68 57.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.115 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -54.95 -49.94 70.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.861 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.438 ' HB2' ' O ' ' A' ' 67' ' ' ASP . . . -52.09 -39.11 59.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.064 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 59.3 m -67.5 -45.24 76.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.86 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.461 ' O ' HD13 ' A' ' 96' ' ' ILE . 56.4 mt -60.5 -48.13 83.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.927 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 70.2 m-80 -65.91 -34.49 78.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.854 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.469 ' CZ ' ' HE2' ' A' ' 92' ' ' LYS . 3.2 t80 -65.97 -51.7 56.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.875 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 93.6 mt -53.61 -38.49 64.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.907 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -61.92 -35.15 77.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.133 179.764 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -68.68 -32.5 72.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.101 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.604 ' HE3' ' HB1' ' A' ' 61' ' ' ALA . 42.5 mmtt -70.51 -24.28 62.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.878 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 117.9 37.05 0.91 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.504 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.793 HD11 ' HB2' ' A' ' 122' ' ' TYR . 66.1 mt -118.69 148.28 21.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.786 0.327 . . . . 0.0 111.17 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -89.09 112.97 24.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.921 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.461 HD13 ' O ' ' A' ' 86' ' ' LEU . 18.8 pt -110.39 -13.37 11.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.106 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 23.1 mt-30 -46.95 100.31 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.897 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 144.02 -38.94 1.3 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.512 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 26.8 mt -63.89 179.26 0.53 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.859 0.362 . . . . 0.0 110.93 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 10.5 m -158.22 108.47 2.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -43.56 -42.83 5.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.111 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -57.82 -51.29 70.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.94 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -55.92 -48.22 76.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.89 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 47.5 mt -58.84 -43.83 89.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.142 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.579 ' O ' HG22 ' A' ' 48' ' ' THR . 5.8 ttt-85 -61.66 -30.07 70.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.874 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -72.98 -26.96 61.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.901 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 97.16 31.34 6.94 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.495 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . 0.545 ' O ' HD12 ' A' ' 112' ' ' ILE . 51.4 t-20 -81.6 114.64 20.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.869 0.366 . . . . 0.0 110.884 -179.878 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.56 HD11 ' HB2' ' A' ' 20' ' ' LYS . 8.9 tp -50.83 -39.8 54.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.937 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.692 ' NZ ' HD11 ' A' ' 16' ' ' LEU . 15.9 mmtm -59.1 -26.12 64.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.866 179.838 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -86.83 -60.63 1.93 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.066 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.6 ' H ' HD12 ' A' ' 112' ' ' ILE . 4.5 mp -50.89 -55.13 7.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.122 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.474 ' CD1' ' HG ' ' A' ' 109' ' ' LEU . 71.8 mt -47.55 -42.38 23.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.947 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -60.6 -41.5 98.85 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.484 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.967 HD23 ' N ' ' A' ' 116' ' ' PHE . 0.1 OUTLIER -62.43 -57.17 12.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.863 0.363 . . . . 0.0 110.902 -179.947 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.967 ' N ' HD23 ' A' ' 115' ' ' LEU . 10.9 m-85 -66.3 -17.28 64.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.869 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . 0.482 ' CD1' ' C ' ' A' ' 117' ' ' PHE . 3.6 t80 -75.82 -36.96 59.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.877 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 16.4 m -92.76 -39.48 11.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.829 -179.777 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.536 ' O ' HD12 ' A' ' 119' ' ' LEU . 2.0 tp -54.03 -55.28 28.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.919 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.4 t -46.49 -44.48 17.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.856 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 33.5 mtp85 -46.85 -51.07 17.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.905 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . 0.793 ' HB2' HD11 ' A' ' 94' ' ' ILE . 12.3 t80 -39.54 -54.55 1.96 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 -179.828 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . 0.44 ' O ' ' C ' ' A' ' 124' ' ' GLN . 13.5 tptp -75.49 -54.59 6.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.874 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . 0.44 ' C ' ' O ' ' A' ' 123' ' ' LYS . 51.1 mm-40 -34.34 -57.29 0.5 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.941 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 14.2 tt0 -67.39 -39.9 85.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 9.0 tm0? -62.09 97.69 0.09 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.927 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 29.9 mm-40 -143.6 136.44 27.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 13.2 mt-30 -128.46 145.76 57.18 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.595 0.712 . . . . 0.0 110.918 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--N 1.341 0.139 0 C-N-CA 122.684 2.256 . . . . 0.0 112.322 -179.979 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 N-CA-C 112.461 -0.256 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 43.8 p -149.98 156.89 42.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.904 0.383 . . . . 0.0 110.875 -179.767 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 44.9 m -139.01 146.28 40.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.874 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -112.87 124.73 6.75 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.462 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.1 t -62.33 147.43 48.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.873 0.368 . . . . 0.0 110.896 -179.787 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.4 m -118.54 -50.16 2.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 -179.811 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -89.67 63.95 3.2 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.505 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 27.9 tttm -152.29 107.23 3.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.778 0.323 . . . . 0.0 110.898 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 15.8 ttm180 -174.13 119.05 0.25 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.852 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.502 ' CG ' ' HD2' ' A' ' 11' ' ' PRO . 5.4 ttpt -46.14 141.92 4.36 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.565 0.698 . . . . 0.0 110.894 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.502 ' HD2' ' CG ' ' A' ' 10' ' ' LYS . 54.0 Cg_endo -69.77 137.59 35.78 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.651 2.234 . . . . 0.0 112.387 179.874 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 7.3 p -55.32 140.31 13.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.129 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.453 HD13 ' HA ' ' A' ' 13' ' ' ILE . 9.3 mm -70.66 143.94 14.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.165 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.416 ' O ' ' CG ' ' A' ' 19' ' ' GLN . 1.6 m80 -112.47 61.33 0.63 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.421 ' O ' ' C ' ' A' ' 16' ' ' LEU . . . -44.52 144.71 2.18 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.479 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.47 ' O ' HD11 ' A' ' 113' ' ' LEU . 23.5 mt -35.98 -59.29 0.61 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.768 0.318 . . . . 0.0 110.908 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.422 ' HA ' HD21 ' A' ' 109' ' ' LEU . 2.0 pm0 -61.1 -38.71 87.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.922 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.407 ' N ' ' O ' ' A' ' 15' ' ' GLY . 70.0 m-20 -65.8 -25.57 67.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.85 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.416 ' CG ' ' O ' ' A' ' 14' ' ' HIS . 22.6 mt-30 -69.31 -40.57 77.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.912 -179.881 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 17.0 ttmt -46.39 -56.35 6.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.917 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 13.6 ttm180 -54.87 -52.71 61.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.845 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 74.1 mt -44.86 -48.47 2.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.125 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.537 ' CG ' ' HB3' ' A' ' 116' ' ' PHE . 25.3 m-85 -68.88 -45.47 70.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.923 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.455 ' CG2' ' O ' ' A' ' 40' ' ' ILE . 66.8 m -46.65 -56.53 5.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.137 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -59.03 -38.52 79.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.877 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.405 ' CZ2' ' HA ' ' A' ' 120' ' ' SER . 72.9 t90 -58.05 -53.15 61.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.902 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.59 ' HB2' ' HE1' ' A' ' 116' ' ' PHE . . . -67.53 -37.62 83.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.139 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.439 ' CB ' HD22 ' A' ' 39' ' ' LEU . 1.0 OUTLIER -46.71 -41.08 14.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 -179.954 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.42 ' CE1' ' HB3' ' A' ' 33' ' ' LYS . 0.4 OUTLIER -57.18 -64.53 0.85 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.828 179.965 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 95.0 m-85 -45.31 -33.42 2.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.95 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.645 HD22 ' CD2' ' A' ' 36' ' ' HIS . 15.8 mt -72.48 -47.51 48.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.943 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -65.8 -53.44 40.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.072 179.803 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.422 ' HE3' ' CG1' ' A' ' 59' ' ' VAL . 10.1 pttp -52.47 -33.47 44.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.431 ' O ' ' C ' ' A' ' 35' ' ' GLY . 4.5 t -92.83 31.68 1.36 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.864 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.431 ' C ' ' O ' ' A' ' 34' ' ' SER . . . 35.6 60.45 0.78 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.496 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.645 ' CD2' HD22 ' A' ' 31' ' ' LEU . 20.3 t60 -90.42 -18.22 25.81 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.851 0.358 . . . . 0.0 110.85 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 33.0 mmtt 54.64 39.42 31.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.562 ' HB3' ' CD2' ' A' ' 36' ' ' HIS . 11.0 ttt85 -170.03 153.85 4.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.898 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.439 HD22 ' CB ' ' A' ' 28' ' ' ASN . 61.9 mt -130.8 170.06 14.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.899 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.659 HG23 ' HB2' ' A' ' 46' ' ' ASP . 66.6 mt -95.61 109.55 22.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.157 179.864 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 7.4 ttm180 -77.72 -61.08 2.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.878 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.429 ' OD1' ' N ' ' A' ' 42' ' ' ASP . 0.3 OUTLIER -114.88 113.5 24.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.91 179.935 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.943 HD11 ' CE2' ' A' ' 116' ' ' PHE . 11.1 tp -60.14 -36.93 78.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 64.1 mt-30 -70.58 -15.62 62.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.918 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.469 ' HA ' HG23 ' A' ' 48' ' ' THR . 4.2 mm100 -116.18 -6.21 11.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.659 ' HB2' HG23 ' A' ' 40' ' ' ILE . 0.4 OUTLIER -84.37 -34.82 23.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.828 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.677 HG12 ' HB2' ' A' ' 53' ' ' LEU . 26.6 m -103.47 33.33 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.125 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.469 HG23 ' HA ' ' A' ' 45' ' ' GLN . 18.0 p -86.03 -35.09 20.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.143 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -104.22 -14.56 15.79 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.853 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 79.53 -14.38 17.78 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.513 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 98.2 t -61.44 -70.37 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.865 0.364 . . . . 0.0 111.074 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.489 ' O ' HD23 ' A' ' 52' ' ' LEU . 2.4 tt -54.88 -36.41 65.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.677 ' HB2' HG12 ' A' ' 47' ' ' VAL . 2.1 tp -55.79 -55.84 27.66 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.89 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.416 ' O ' ' C ' ' A' ' 55' ' ' GLN . . . -54.68 -47.26 73.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.075 179.829 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.497 HE22 ' CE1' ' A' ' 36' ' ' HIS . 27.0 mt-30 -36.38 -37.77 0.13 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.973 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.558 HG12 ' HB1' ' A' ' 27' ' ' ALA . 3.3 mp -80.52 -56.98 5.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.133 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.594 HD11 HD11 ' A' ' 53' ' ' LEU . 41.4 mt -43.34 -55.41 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.125 179.85 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -52.3 -30.95 30.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.912 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.465 HG23 ' O ' ' A' ' 55' ' ' GLN . 71.6 t -81.48 -63.41 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.13 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 7.4 p -55.23 -22.22 10.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.117 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -107.76 -6.06 17.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.074 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 57.7 t30 52.59 31.76 10.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.943 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -125.2 168.43 13.46 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.859 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.448 ' CE ' ' O ' ' A' ' 65' ' ' ILE . 0.0 OUTLIER -123.33 136.13 54.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.845 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.448 ' O ' ' CE ' ' A' ' 64' ' ' LYS . 6.4 mt -104.91 118.54 52.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.147 179.844 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -91.67 -14.49 29.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.92 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -85.0 23.52 1.21 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.846 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 48.2 mm -100.66 121.94 52.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.084 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -49.79 -45.81 50.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.845 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 98.3 -65.86 0.77 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.483 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 5.8 m -126.67 72.32 74.15 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.629 0.728 . . . . 0.0 110.886 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 133.67 26.18 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.701 2.267 . . . . 0.0 112.356 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.421 ' C ' ' HD3' ' A' ' 73' ' ' LYS . 0.0 OUTLIER -129.1 -36.36 1.76 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.902 179.921 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.409 ' CB ' ' HG3' ' A' ' 77' ' ' GLN . 28.8 t30 -66.1 178.78 1.06 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.895 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 8.9 tpp180 -72.5 -47.01 52.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 52.3 p -85.99 -31.06 22.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.862 -179.814 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.409 ' HG3' ' CB ' ' A' ' 74' ' ' ASN . 11.4 mt-30 -43.67 -37.0 2.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.911 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.445 ' SD ' ' NH1' ' A' ' 105' ' ' ARG . 17.4 mtt -75.04 -38.99 61.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.878 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.478 ' CD1' ' HA ' ' A' ' 102' ' ' GLU . 3.7 mm -55.15 -48.93 75.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.135 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -48.49 -40.94 28.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.891 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -50.24 -69.47 0.11 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.848 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.697 ' H ' HD12 ' A' ' 82' ' ' ILE . 4.8 mp -50.15 -42.37 19.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.151 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -53.88 -50.55 66.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.842 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -55.6 -42.37 74.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.061 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 26.7 m -65.9 -36.77 84.32 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.831 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.449 ' O ' HD13 ' A' ' 96' ' ' ILE . 92.8 mt -65.67 -43.8 88.22 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.971 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 69.2 m-80 -71.69 -36.67 70.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.917 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.477 ' CD1' ' C ' ' A' ' 88' ' ' PHE . 1.3 t80 -64.27 -42.1 96.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.858 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.496 HD22 HD12 ' A' ' 94' ' ' ILE . 29.0 mt -66.94 -42.16 85.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.95 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -56.93 -27.15 60.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.08 179.805 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -76.0 -30.63 58.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.109 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.472 ' HB3' ' CE2' ' A' ' 122' ' ' TYR . 69.0 mmtt -76.43 -11.79 59.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.913 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 106.62 31.21 4.04 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.452 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.689 HD11 ' CB ' ' A' ' 122' ' ' TYR . 94.4 mt -110.69 143.87 19.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.861 0.362 . . . . 0.0 111.102 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -85.17 118.91 25.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.882 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.449 HD13 ' O ' ' A' ' 86' ' ' LEU . 30.7 pt -113.13 -14.51 10.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.154 179.883 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -46.93 107.03 0.1 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 131.62 -40.64 1.61 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.498 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.418 HD21 ' HA3' ' A' ' 114' ' ' GLY . 56.1 mt -69.3 136.84 52.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.805 0.336 . . . . 0.0 110.962 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.445 ' CB ' ' HG3' ' A' ' 103' ' ' GLU . 1.1 m -120.74 118.25 29.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.859 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -48.33 -44.95 34.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.081 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.478 ' HA ' ' CD1' ' A' ' 79' ' ' ILE . 12.9 tt0 -58.12 -43.17 87.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.914 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.445 ' HG3' ' CB ' ' A' ' 100' ' ' SER . 12.2 mt-10 -70.44 -37.27 74.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.89 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.435 HG12 ' HB1' ' A' ' 111' ' ' ALA . 18.9 mt -68.5 -42.58 83.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.126 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.445 ' NH1' ' SD ' ' A' ' 78' ' ' MET . 1.0 OUTLIER -61.05 -39.29 89.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.86 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 25.0 m-20 -68.19 -28.48 67.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.888 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 106.85 23.53 7.07 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.537 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . 0.805 ' O ' HD12 ' A' ' 112' ' ' ILE . 0.1 OUTLIER -63.93 99.19 0.24 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.864 0.364 . . . . 0.0 110.859 -179.819 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.422 HD21 ' HA ' ' A' ' 17' ' ' GLU . 17.4 tp -39.16 -52.28 1.91 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.883 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.42 ' HB2' ' ND2' ' A' ' 108' ' ' ASN . 19.1 mmtp -47.72 -44.41 27.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.902 179.84 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . 0.435 ' HB1' HG12 ' A' ' 104' ' ' ILE . . . -69.26 -62.74 1.26 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.107 179.813 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.805 HD12 ' O ' ' A' ' 108' ' ' ASN . 5.2 mp -43.92 -64.11 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.117 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.47 HD11 ' O ' ' A' ' 16' ' ' LEU . 66.0 mt -41.96 -38.23 1.54 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.895 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . 0.418 ' HA3' HD21 ' A' ' 99' ' ' LEU . . . -62.2 -37.54 94.69 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.522 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 1.023 HD23 ' N ' ' A' ' 116' ' ' PHE . 0.2 OUTLIER -66.03 -62.85 1.27 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.891 0.376 . . . . 0.0 110.945 -179.957 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 1.023 ' N ' HD23 ' A' ' 115' ' ' LEU . 18.0 m-85 -62.36 -15.54 49.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -76.59 -41.84 44.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.847 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 49.1 m -88.46 -41.55 12.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.834 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.469 ' HA ' HD13 ' A' ' 94' ' ' ILE . 2.1 tp -48.64 -58.01 5.37 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.95 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . 0.405 ' HA ' ' CZ2' ' A' ' 26' ' ' TRP . 2.0 m -45.62 -43.63 12.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.819 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 63.0 mtp85 -48.42 -52.5 21.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.838 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . 0.689 ' CB ' HD11 ' A' ' 94' ' ' ILE . 3.9 t80 -41.99 -52.94 4.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.913 -179.842 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . 0.432 ' O ' ' C ' ' A' ' 124' ' ' GLN . 15.2 tptp -70.19 -53.53 16.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.883 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . 0.432 ' C ' ' O ' ' A' ' 123' ' ' LYS . 55.7 mm-40 -35.94 -50.06 0.66 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.879 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -71.9 -41.24 68.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.939 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 48.4 mm-40 -71.68 80.38 0.84 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 -108.33 126.41 52.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.919 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 22.9 mp0 -54.19 153.11 9.93 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.618 0.723 . . . . 0.0 110.883 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--N 1.341 0.18 0 C-N-CA 122.676 2.251 . . . . 0.0 112.344 179.974 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.461 -0.256 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.8 t -67.48 -45.41 75.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.907 0.384 . . . . 0.0 110.888 -179.766 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.6 m -131.29 152.44 50.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.831 -179.791 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -82.21 -129.33 1.21 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.491 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.4 p -113.18 144.28 42.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.837 0.351 . . . . 0.0 110.898 -179.736 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 72.2 m -68.08 -62.21 1.51 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.815 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 125.99 151.03 7.8 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.464 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.3 mtpm? -95.13 87.71 4.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.761 0.315 . . . . 0.0 110.865 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 32.5 ttm-85 66.56 38.71 4.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.868 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.5 ' CG ' ' HD2' ' A' ' 11' ' ' PRO . 10.1 tttm -87.29 141.87 32.99 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.545 0.688 . . . . 0.0 110.937 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.5 ' HD2' ' CG ' ' A' ' 10' ' ' LYS . 53.7 Cg_endo -69.75 129.5 17.72 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.663 2.242 . . . . 0.0 112.328 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 7.1 p -149.24 140.08 16.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.163 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 7.6 mt -130.02 147.22 33.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.137 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.427 ' O ' ' C ' ' A' ' 15' ' ' GLY . 50.3 m80 -110.77 86.01 2.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.863 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.493 ' O ' ' N ' ' A' ' 18' ' ' ASP . . . -36.07 152.9 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.455 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.41 ' C ' ' O ' ' A' ' 15' ' ' GLY . 61.3 mt -37.4 -48.17 0.92 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.78 0.324 . . . . 0.0 110.902 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.715 ' OE2' HD22 ' A' ' 109' ' ' LEU . 59.1 mm-40 -65.83 -37.26 85.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.493 ' N ' ' O ' ' A' ' 15' ' ' GLY . 1.3 m-20 -62.12 -38.4 88.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.906 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.453 ' HA ' HD12 ' A' ' 22' ' ' ILE . 75.5 mt-30 -59.08 -51.8 68.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.923 -179.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.449 ' C ' ' O ' ' A' ' 19' ' ' GLN . 42.6 tttt -34.13 -49.83 0.37 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.904 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.424 ' O ' ' C ' ' A' ' 22' ' ' ILE . 31.3 ttt180 -57.69 -61.64 2.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.888 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.453 HD12 ' HA ' ' A' ' 19' ' ' GLN . 82.2 mt -36.03 -44.03 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.144 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 27.3 m-85 -75.63 -49.87 17.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.94 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.441 ' O ' ' ND2' ' A' ' 28' ' ' ASN . 98.5 m -40.8 -45.6 2.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.093 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -68.52 -38.09 80.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.869 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . 0.469 ' CZ2' ' HA ' ' A' ' 120' ' ' SER . 33.0 t90 -55.35 -57.95 9.75 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.665 ' HB1' HG12 ' A' ' 56' ' ' ILE . . . -60.93 -54.88 39.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.112 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.45 ' OD1' HD22 ' A' ' 39' ' ' LEU . 1.8 m-80 -34.33 -51.48 0.45 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 9.5 t60 -48.03 -52.01 21.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.868 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 77.6 m-85 -60.97 -39.84 91.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.932 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.576 HD11 HD21 ' A' ' 52' ' ' LEU . 11.7 mt -66.09 -29.29 69.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.892 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -80.4 -51.9 8.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.058 179.818 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.0 ptmm? -56.98 -34.74 68.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 7.5 t -84.36 27.92 0.67 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.815 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 40.71 70.73 0.36 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.476 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.455 ' CB ' ' O ' ' A' ' 31' ' ' LEU . 7.8 t-80 -116.66 137.8 51.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.845 0.355 . . . . 0.0 110.862 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 10.5 ptpt -94.5 46.21 1.14 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.918 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 45.3 ttm-85 -173.6 140.29 0.78 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.843 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.45 HD22 ' OD1' ' A' ' 28' ' ' ASN . 82.0 mt -117.21 -174.88 2.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.917 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.6 HG23 ' CG ' ' A' ' 46' ' ' ASP . 86.0 mt -103.09 108.47 24.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.133 179.844 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 14.5 mmt180 -83.52 -62.98 1.44 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.919 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.495 ' N ' ' OD1' ' A' ' 46' ' ' ASP . 70.8 m-20 -112.93 98.18 7.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.867 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.621 HD11 ' CE2' ' A' ' 116' ' ' PHE . 13.3 tp -45.72 -36.31 4.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.927 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.683 ' NE2' HD13 ' A' ' 109' ' ' LEU . 27.8 mt-30 -68.85 -44.53 73.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.912 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 92.1 mt-30 -96.13 12.94 28.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.924 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.6 ' CG ' HG23 ' A' ' 40' ' ' ILE . 0.7 OUTLIER -102.55 -33.4 9.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.902 179.938 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.51 HG22 ' O ' ' A' ' 43' ' ' LEU . 34.5 m -106.76 38.42 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.165 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.4 HG23 ' O ' ' A' ' 44' ' ' GLN . 23.4 p -92.8 -35.55 13.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.118 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.497 ' O ' ' CB ' ' A' ' 81' ' ' ASN . 7.0 m-20 -93.42 -18.74 22.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.855 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 84.9 -28.9 4.34 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.503 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 86.0 t -52.66 -65.8 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.846 0.355 . . . . 0.0 111.117 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.576 HD21 HD11 ' A' ' 31' ' ' LEU . 2.0 tt -53.8 -39.82 65.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.906 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.667 HD11 HD11 ' A' ' 57' ' ' ILE . 5.4 tp -54.86 -55.52 29.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.912 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -54.14 -44.0 71.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.108 179.79 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 23.1 mt-30 -40.3 -32.98 0.21 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.966 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.665 HG12 ' HB1' ' A' ' 27' ' ' ALA . 5.2 mp -88.06 -51.36 12.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.122 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.667 HD11 HD11 ' A' ' 53' ' ' LEU . 70.9 mt -50.25 -55.6 5.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.125 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 39.9 mt-30 -49.99 -28.4 6.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 72.2 t -81.41 -69.1 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.108 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 7.5 p -50.07 -29.26 5.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.115 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -91.9 -26.73 18.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.13 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 10.6 m-80 71.87 39.2 0.86 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.904 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -145.51 162.91 36.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.901 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 6.7 tttp -111.14 136.53 50.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.935 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.437 ' HB ' ' CG1' ' A' ' 68' ' ' ILE . 13.6 mt -96.27 113.65 31.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.111 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -76.3 -24.74 54.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.511 ' O ' ' HB2' ' A' ' 84' ' ' ALA . 0.7 OUTLIER -82.55 44.04 0.86 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.848 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.437 ' CG1' ' HB ' ' A' ' 65' ' ' ILE . 31.3 mm -118.62 112.66 38.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.136 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.44 ' OD1' ' C ' ' A' ' 69' ' ' ASN . 13.1 t-20 -69.05 -59.67 2.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.922 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 76.79 127.34 0.29 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.474 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . 0.435 ' N ' ' CD ' ' A' ' 72' ' ' PRO . 56.1 m 66.75 55.02 0.84 Allowed Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.607 0.718 . . . . 0.0 110.899 -179.837 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.485 ' CG ' ' HG3' ' A' ' 78' ' ' MET . 53.1 Cg_endo -69.8 147.65 63.07 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.687 2.258 . . . . 0.0 112.344 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 58.4 mttt -116.98 -44.16 2.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.937 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.428 ' O ' ' N ' ' A' ' 77' ' ' GLN . 20.8 t-20 -83.98 133.31 34.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.923 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.492 ' HG2' ' CZ ' ' A' ' 105' ' ' ARG . 0.9 OUTLIER -38.77 -32.19 0.08 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.86 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.405 ' O ' ' N ' ' A' ' 79' ' ' ILE . 3.4 m -81.71 -42.86 19.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.814 -179.736 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.428 ' N ' ' O ' ' A' ' 74' ' ' ASN . 7.1 mt-30 -41.77 -27.44 0.11 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.895 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.485 ' HG3' ' CG ' ' A' ' 72' ' ' PRO . 1.5 mpt? -75.07 -44.52 47.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.405 ' N ' ' O ' ' A' ' 76' ' ' SER . 40.3 mm -41.33 -56.02 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.12 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.408 ' O ' ' C ' ' A' ' 81' ' ' ASN . 27.2 mt-10 -44.66 -60.17 2.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.93 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.497 ' CB ' ' O ' ' A' ' 49' ' ' ASP . 2.7 m-20 -37.46 -66.91 0.21 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.9 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 37.2 mt -55.82 -40.32 60.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.147 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -53.87 -52.41 60.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.853 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.511 ' HB2' ' O ' ' A' ' 67' ' ' ASP . . . -49.66 -42.17 44.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.092 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 59.8 m -64.42 -47.85 77.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.811 ' O ' HG21 ' A' ' 96' ' ' ILE . 54.0 mt -57.13 -48.57 78.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.903 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 68.6 m-80 -69.2 -41.96 76.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.573 ' CZ ' ' HE2' ' A' ' 92' ' ' LYS . 20.7 t80 -61.49 -39.51 91.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.855 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 72.9 mt -68.45 -49.06 62.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.927 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -44.43 -53.57 6.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.115 179.745 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -50.12 -32.75 16.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.112 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.573 ' HE2' ' CZ ' ' A' ' 88' ' ' PHE . 39.5 mmtm -70.95 -26.16 63.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.857 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 120.24 29.32 1.64 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.506 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.714 HD11 ' HB2' ' A' ' 122' ' ' TYR . 52.0 mt -113.31 154.22 14.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.856 0.36 . . . . 0.0 111.095 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . 0.446 ' N ' HG22 ' A' ' 94' ' ' ILE . 36.5 t30 -88.06 124.55 33.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.851 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.811 HG21 ' O ' ' A' ' 86' ' ' LEU . 19.8 pt -122.53 -31.55 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.159 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.467 ' N ' HG13 ' A' ' 96' ' ' ILE . 41.5 mt-30 -35.74 -59.12 0.59 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.901 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -49.87 -46.75 40.25 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.485 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 59.4 mt -59.9 176.76 0.28 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.848 0.356 . . . . 0.0 110.891 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 4.3 m -155.7 119.57 4.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.851 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -54.11 -50.69 66.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.08 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 19.0 tt0 -50.68 -54.5 22.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.875 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -56.95 -45.4 82.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.868 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 76.5 mt -58.5 -50.27 79.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.104 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.492 ' CZ ' ' HG2' ' A' ' 75' ' ' ARG . 5.8 ttt-85 -52.98 -37.22 61.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.858 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 72.0 m-80 -68.24 -28.3 67.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.891 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . 0.432 ' HA2' HD11 ' A' ' 112' ' ' ILE . . . 96.37 28.41 9.13 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.499 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . 0.559 ' O ' HD12 ' A' ' 112' ' ' ILE . 32.6 t30 -73.87 105.27 5.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.881 0.372 . . . . 0.0 110.902 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.715 HD22 ' OE2' ' A' ' 17' ' ' GLU . 8.6 tp -37.74 -49.75 1.17 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.892 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 29.8 mmtt -48.08 -42.24 28.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . 0.412 ' N ' ' O ' ' A' ' 108' ' ' ASN . . . -72.49 -64.09 1.02 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.083 179.829 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.68 ' H ' HD12 ' A' ' 112' ' ' ILE . 5.1 mp -43.7 -60.86 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.159 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.482 HD11 ' HG ' ' A' ' 109' ' ' LEU . 94.3 mt -43.79 -42.12 5.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.935 179.853 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -61.36 -47.59 89.94 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.486 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.884 HD23 ' N ' ' A' ' 116' ' ' PHE . 0.3 OUTLIER -55.14 -57.97 9.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.806 0.336 . . . . 0.0 110.882 -179.923 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.884 ' N ' HD23 ' A' ' 115' ' ' LEU . 10.7 m-85 -66.16 -27.97 68.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . 0.524 ' CD1' ' C ' ' A' ' 117' ' ' PHE . 1.8 t80 -64.28 -37.18 86.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.858 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 23.0 p -91.77 -48.76 6.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.862 -179.809 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.493 ' HA ' HD13 ' A' ' 94' ' ' ILE . 14.8 tp -42.76 -60.72 1.47 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.912 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . 0.469 ' HA ' ' CZ2' ' A' ' 26' ' ' TRP . 5.8 t -37.9 -53.47 1.32 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.83 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . 0.405 ' C ' ' O ' ' A' ' 120' ' ' SER . 63.3 mtm180 -37.95 -45.54 0.88 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.846 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . 0.714 ' HB2' HD11 ' A' ' 94' ' ' ILE . 36.4 t80 -41.8 -56.7 2.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.901 -179.839 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . 0.483 ' O ' ' CB ' ' A' ' 126' ' ' GLN . 12.6 tptp -78.25 -53.89 6.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . 0.423 ' C ' ' O ' ' A' ' 123' ' ' LYS . 43.3 mt-30 -35.42 122.63 0.62 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.893 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 5.0 mm-40 47.22 38.96 7.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.865 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . 0.483 ' CB ' ' O ' ' A' ' 123' ' ' LYS . 3.7 tp60 -76.73 -46.93 23.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.888 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -51.68 -19.37 1.55 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.928 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . 0.408 ' C ' ' OE1' ' A' ' 128' ' ' GLN . 1.2 pp0? -159.6 127.01 2.68 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.551 0.691 . . . . 0.0 110.931 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--N 1.341 0.173 0 C-N-CA 122.641 2.227 . . . . 0.0 112.38 -179.992 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 N-CA-C 112.461 -0.256 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.5 t -107.7 99.02 8.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.85 0.357 . . . . 0.0 110.902 -179.753 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.8 t -71.86 121.5 19.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.881 -179.787 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 125.33 58.03 0.17 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.5 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 87.4 p -80.21 108.69 14.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.894 0.378 . . . . 0.0 110.833 -179.727 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 80.5 p -156.34 165.27 36.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.89 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -142.52 -161.21 8.68 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.543 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.7 mmmm -116.1 163.24 16.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.762 0.315 . . . . 0.0 110.92 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 45.3 ttt85 -123.61 41.67 3.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.903 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 27.1 mmtt -148.8 148.13 26.71 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.579 0.704 . . . . 0.0 110.908 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 122.92 9.58 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.735 2.29 . . . . 0.0 112.33 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 1.3 t -126.29 148.68 30.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.118 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 4.5 mt -55.27 -33.57 31.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.146 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.78 ' CG ' HD11 ' A' ' 22' ' ' ILE . 14.3 m-70 61.76 49.51 4.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.854 179.873 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.457 ' O ' ' N ' ' A' ' 18' ' ' ASP . . . -45.17 165.1 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.478 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.402 ' C ' ' O ' ' A' ' 15' ' ' GLY . 40.4 mt -37.62 -53.79 1.2 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.715 0.293 . . . . 0.0 110.879 -179.88 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -55.96 -38.9 70.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.457 ' N ' ' O ' ' A' ' 15' ' ' GLY . 0.6 OUTLIER -69.58 -48.49 60.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.826 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.575 ' HA ' HD12 ' A' ' 22' ' ' ILE . 29.5 mt-30 -47.49 -41.34 20.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 -179.871 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 50.1 tttt -48.34 -36.87 15.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 24.2 ttp180 -75.92 -59.15 2.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.851 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.78 HD11 ' CG ' ' A' ' 14' ' ' HIS . 41.5 mt -38.41 -37.73 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.131 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 -74.82 -52.05 12.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.964 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.611 HG22 ' OD1' ' A' ' 28' ' ' ASN . 89.8 m -41.34 -53.12 3.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.145 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 31.8 t0 -60.63 -35.91 77.32 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.888 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' TRP . . . . . . . . . . . . . 72.9 t90 -62.57 -44.48 96.23 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.688 ' HB1' HG12 ' A' ' 56' ' ' ILE . . . -76.44 -39.31 53.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.076 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.611 ' OD1' HG22 ' A' ' 24' ' ' THR . 23.4 m120 -47.33 -47.34 25.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.926 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 44.3 t60 -53.29 -53.67 47.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.848 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 73.9 m-85 -57.9 -19.27 28.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.917 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.492 HD22 ' CD2' ' A' ' 36' ' ' HIS . 15.8 mt -88.66 -47.25 8.4 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.921 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.79 -32.82 73.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.085 179.81 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.4 ptmm? -62.93 -38.31 90.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.916 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 56.0 p -89.58 18.2 5.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.854 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 63.47 61.58 6.15 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.501 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.492 ' CD2' HD22 ' A' ' 31' ' ' LEU . 76.3 t60 -117.63 81.8 1.72 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.917 0.389 . . . . 0.0 110.852 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.436 ' C ' ' O ' ' A' ' 36' ' ' HIS . 35.9 mttp -34.19 -61.42 0.37 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.908 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.479 ' HG2' ' N ' ' A' ' 39' ' ' LEU . 57.4 ttm-85 -49.6 162.79 0.14 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.871 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.479 ' N ' ' HG2' ' A' ' 38' ' ' ARG . 50.7 mt -143.86 176.05 9.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.868 HG23 ' HB2' ' A' ' 46' ' ' ASP . 92.3 mt -98.24 114.75 36.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.126 179.858 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 14.1 mmt85 -82.88 -63.86 1.28 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.485 ' O ' ' N ' ' A' ' 45' ' ' GLN . 56.1 m-20 -114.78 100.69 8.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.842 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.712 HD11 ' CE2' ' A' ' 116' ' ' PHE . 14.9 tp -34.34 -37.12 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.903 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.419 ' N ' ' O ' ' A' ' 42' ' ' ASP . 49.8 mt-30 -63.83 -48.58 76.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.897 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.542 ' HA ' HG23 ' A' ' 48' ' ' THR . 34.2 mm-40 -76.15 -25.98 55.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.933 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.868 ' HB2' HG23 ' A' ' 40' ' ' ILE . 0.2 OUTLIER -66.91 -11.58 56.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.876 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.658 ' O ' HG22 ' A' ' 104' ' ' ILE . 17.9 m -129.18 38.12 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.11 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.542 HG23 ' HA ' ' A' ' 45' ' ' GLN . 1.9 p -90.68 -33.86 15.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.182 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 30.4 p-10 -107.05 -15.39 14.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.838 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 85.41 -21.92 12.0 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.526 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 42.8 t -58.26 -67.56 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.925 0.393 . . . . 0.0 111.097 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.528 ' O ' HD12 ' A' ' 56' ' ' ILE . 0.9 OUTLIER -55.04 -33.1 62.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.947 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.644 ' HB2' HG12 ' A' ' 47' ' ' VAL . 2.0 tp -63.11 -51.0 68.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.883 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -62.91 -33.83 76.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.094 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.448 HE22 ' CE1' ' A' ' 36' ' ' HIS . 18.3 mt-30 -48.13 -26.14 1.75 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.868 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.688 HG12 ' HB1' ' A' ' 27' ' ' ALA . 5.0 mp -92.86 -57.3 4.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.159 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.5 HD11 HD11 ' A' ' 53' ' ' LEU . 57.4 mt -42.69 -54.77 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.154 179.838 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -50.44 -34.98 26.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 94.2 t -76.89 -65.26 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.104 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 6.6 p -54.34 -19.61 3.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.135 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -106.46 -9.21 16.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.103 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 62.8 t30 54.0 39.9 31.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -139.79 165.18 27.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.907 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 27.0 ttpt -116.75 137.71 52.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.863 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.428 ' HB ' ' CG1' ' A' ' 68' ' ' ILE . 17.4 mt -100.75 110.56 28.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.115 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -78.81 -10.58 59.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.871 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -94.41 38.88 1.09 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.887 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.428 ' CG1' ' HB ' ' A' ' 65' ' ' ILE . 23.2 mm -115.68 110.7 32.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.104 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 67.0 t30 -41.95 -48.89 4.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 100.44 -64.07 0.59 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.526 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' CYS . . . . . . . . . . . . . 40.8 t -126.09 83.53 63.19 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.602 0.715 . . . . 0.0 110.853 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 137.37 35.28 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.696 2.264 . . . . 0.0 112.37 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 5.4 mtmp? -124.7 -34.23 2.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.855 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -90.46 169.4 11.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.887 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 4.2 ptp180 -71.44 -26.15 62.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.902 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.433 ' O ' ' N ' ' A' ' 79' ' ' ILE . 63.1 m -91.05 -36.27 14.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.879 -179.813 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -45.98 -26.62 0.75 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.972 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 18.7 mtt -81.85 -31.86 31.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.854 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.433 ' N ' ' O ' ' A' ' 76' ' ' SER . 26.9 mm -53.48 -50.78 47.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.129 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -55.7 -48.17 75.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.91 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 7.5 m-20 -45.41 -68.66 0.18 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.903 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 13.7 mt -52.56 -36.69 22.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.138 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -60.75 -44.53 96.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -55.77 -41.69 74.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.145 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 60.3 m -65.97 -42.5 89.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.449 ' O ' HD13 ' A' ' 96' ' ' ILE . 73.5 mt -62.38 -43.26 99.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.881 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 69.0 m-80 -73.04 -38.66 66.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.877 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.483 ' CD1' ' C ' ' A' ' 88' ' ' PHE . 1.3 t80 -63.04 -38.07 89.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.45 HD22 HD12 ' A' ' 94' ' ' ILE . 26.8 mt -68.52 -49.42 59.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.951 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -45.95 -46.87 16.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.118 179.786 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -59.13 -30.97 68.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.124 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.427 ' HB3' ' CE2' ' A' ' 122' ' ' TYR . 69.3 mmtt -75.58 -14.6 60.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.91 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 107.03 38.99 2.06 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.464 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.553 HD11 ' HB2' ' A' ' 122' ' ' TYR . 73.4 mt -120.54 129.38 75.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.852 0.358 . . . . 0.0 111.132 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -72.09 112.08 7.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.449 HD13 ' O ' ' A' ' 86' ' ' LEU . 30.9 pt -108.27 -21.1 5.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.093 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 16.9 mt-30 -42.77 119.17 1.4 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.949 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 121.94 -35.24 3.6 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.483 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 49.1 mt -69.01 171.86 7.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.851 0.358 . . . . 0.0 110.908 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 31.1 m -150.95 106.12 3.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.837 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -43.23 -40.61 3.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.149 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -60.24 -53.52 56.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 22.5 mm-40 -53.8 -44.73 70.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.872 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.658 HG22 ' O ' ' A' ' 47' ' ' VAL . 41.6 mt -58.03 -42.34 82.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.11 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 10.1 ttt85 -60.65 -33.29 72.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 63.5 m-20 -76.31 -18.37 58.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 90.74 35.82 7.1 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.482 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . 0.769 ' O ' HD12 ' A' ' 112' ' ' ILE . 11.3 t-20 -78.47 100.16 6.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.891 0.377 . . . . 0.0 110.871 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 4.4 tp -39.92 -65.07 0.43 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.927 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 12.5 mmtp -38.38 -34.23 0.12 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.94 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . 0.452 ' HB3' ' O ' ' A' ' 108' ' ' ASN . . . -76.36 -63.05 1.42 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.107 179.797 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.769 HD12 ' O ' ' A' ' 108' ' ' ASN . 5.3 mp -47.76 -58.83 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.134 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 75.8 mt -40.51 -47.28 2.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.915 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . -55.51 -42.91 85.24 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.434 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.983 HD23 ' N ' ' A' ' 116' ' ' PHE . 0.1 OUTLIER -63.45 -57.88 8.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.853 0.358 . . . . 0.0 110.914 -179.922 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.983 ' N ' HD23 ' A' ' 115' ' ' LEU . 11.1 m-85 -66.15 -17.94 65.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.878 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . 0.473 ' CD1' ' C ' ' A' ' 117' ' ' PHE . 4.0 t80 -73.47 -36.83 65.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.874 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . 0.411 ' OG ' HG23 ' A' ' 94' ' ' ILE . 8.0 t -93.27 -46.72 7.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.871 -179.792 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 5.5 tp -43.74 -53.04 6.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.969 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 56.7 p -52.27 -32.91 39.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.844 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . 0.482 ' CZ ' ' HB3' ' A' ' 121' ' ' ARG . 9.5 mtp-105 -61.07 -49.21 78.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.868 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . 0.553 ' HB2' HD11 ' A' ' 94' ' ' ILE . 4.8 t80 -41.62 -56.12 2.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.903 -179.854 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 9.1 tptp -63.24 -43.59 97.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.875 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . 0.427 ' O ' ' C ' ' A' ' 125' ' ' GLN . 18.7 mm100 -71.11 171.62 10.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.929 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . 0.427 ' C ' ' O ' ' A' ' 124' ' ' GLN . 31.0 mm-40 35.75 36.21 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.915 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -106.97 44.47 1.06 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' GLN . . . . . . . . . . . . . 4.5 pp0? -125.68 36.7 4.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.941 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 42.9 tt0 -95.15 122.64 59.38 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.58 0.705 . . . . 0.0 110.887 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--N 1.341 0.17 0 C-N-CA 122.671 2.247 . . . . 0.0 112.327 179.964 . . . . . . . . 0 0 . 1 stop_ save_