data_2lsj_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 2lsj _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 ' 25' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 C--O 1.231 0.141 0 CA-C-O 120.808 0.254 . . . . 0.0 112.325 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -124.43 141.14 52.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.828 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.5 tp -110.17 112.94 25.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.908 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 53.89 28.55 8.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.146 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 94.94 13.15 54.14 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.468 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -110.58 113.7 26.53 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.832 0.349 . . . . 0.0 111.062 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 18.4 t -91.48 -37.5 9.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.091 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -71.37 143.37 50.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.876 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 37.5 t80 -58.84 -52.61 64.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.851 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.02 -37.0 42.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.89 -179.846 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -75.18 -31.51 60.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.884 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 99.2 t -69.82 -57.41 8.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.052 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 6.5 pttt -55.13 -31.14 61.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.914 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 52.1 m -68.13 -38.76 82.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.09 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 67.0 mt -70.1 -35.29 74.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.4 mt -71.98 -47.27 53.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.938 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 7.8 ttpt -52.82 -44.37 66.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.871 179.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -75.91 -42.01 50.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.845 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 35.1 t90 -63.52 -14.82 54.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 40.7 mt -102.33 -16.09 7.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.14 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 74.1 p -100.04 -55.71 2.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.154 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 13.2 t -66.32 -16.63 64.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.146 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.3 mt -128.92 127.95 66.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.123 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 44.6 m -106.87 -24.32 12.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.833 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -113.86 79.13 4.41 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.609 0.719 . . . . 0.0 110.884 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 151.73 69.14 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.681 2.254 . . . . 0.0 112.326 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 74.6 mtm -101.32 163.85 12.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 45.7 tt0 -62.25 -34.97 77.54 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.877 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -66.62 -47.81 71.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.886 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -61.58 -47.56 84.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.893 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 48.8 mt -64.47 -30.41 50.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.108 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.9 mt -64.74 -38.21 90.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.915 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 5.5 mm-40 -54.01 -30.93 49.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.925 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 15.0 t -71.34 -34.87 55.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.116 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 98.0 t -64.46 -50.36 76.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.135 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 26.0 mmm180 -59.59 -26.83 65.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.904 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 72.5 t80 -75.5 -53.62 8.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.869 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 21.2 m -65.11 -43.28 92.52 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.861 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 38.0 p -58.05 -28.32 64.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.159 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -74.02 -36.88 64.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.1 mp -54.02 -32.67 55.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.899 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.405 HD12 HG13 ' A' ' 107' ' ' VAL . 5.4 mt -64.85 -47.66 87.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.136 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -73.79 -34.23 64.55 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.859 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -81.83 -9.5 59.59 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.907 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 4.6 mmtm 63.76 39.92 8.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.915 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 53.6 m-20 -110.57 35.37 3.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 18.0 mt -53.27 -25.33 14.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.962 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -50.51 -46.62 57.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.923 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 5.8 mtpt -79.06 -22.92 44.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.89 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 22.5 tp -57.77 -62.18 1.98 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -54.58 -26.5 32.75 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.831 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 50.4 mt -76.97 -44.04 32.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.887 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 85.2 t -71.29 -42.05 74.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.103 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 39.2 mm -59.08 -57.22 12.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.111 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.09 -34.27 75.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.892 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 56.5 t80 -66.13 -53.54 36.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.872 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 12.4 ptp -65.84 -27.42 68.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.873 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.89 -57.61 11.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.926 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 12.2 ptt180 -53.64 -26.84 23.98 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.873 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 31.4 mt -81.44 -54.09 5.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.879 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 27.5 mtt -61.03 -27.83 68.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.872 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 22.6 mm-40 -80.17 -50.0 10.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.963 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -69.17 -19.3 64.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.928 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 10.0 m -52.11 149.03 5.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.856 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 3.2 p -71.07 -32.07 46.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.16 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -85.26 125.63 33.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.916 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 9.7 p -71.53 -23.62 61.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.852 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 29.5 m -56.39 -24.29 18.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.162 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 24.4 m95 -65.36 -35.88 82.33 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.928 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -56.11 -39.94 72.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.908 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 23.0 mtm -70.8 -40.1 72.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -53.03 -40.83 64.2 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.096 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 40.2 t80 -59.35 -47.82 83.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.891 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -64.57 -35.83 82.24 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.86 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 26.9 t80 -58.86 -44.14 90.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.895 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 11.6 mt -69.21 -39.36 79.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.12 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 25.7 mt -68.51 -34.75 76.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.931 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -59.82 -26.79 66.06 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.821 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 28.3 m-80 -97.82 -40.41 8.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 76.3 t -71.85 -58.9 4.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.223 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 14.4 mm-40 -49.2 -29.24 5.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.933 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 5.3 t -71.38 -56.15 11.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.174 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . 0.405 HG13 HD12 ' A' ' 66' ' ' ILE . 5.8 p -65.01 -26.06 39.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.131 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -74.21 -38.55 63.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.951 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 15.5 mt-30 -67.1 -41.3 86.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.926 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 53.5 mt-30 -63.78 -14.91 56.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.866 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 60.5 m -95.81 -60.6 1.61 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.12 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 11.3 m-85 -102.66 -42.7 5.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.948 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 111.58 -14.54 27.33 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.486 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 36.3 m -93.33 -175.77 3.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.968 0.413 . . . . 0.0 110.837 -179.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 70.8 p -152.68 -178.03 6.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.159 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.327 -0.391 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.903 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 208' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.906 0.384 . . . . 0.0 110.835 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 209' ' ' PHE . . . . . . . . . . . . . 81.6 t80 -53.98 -40.98 67.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.896 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 210' ' ' PHE . . . . . . . . . . . . . 18.4 m-85 -65.05 -26.55 68.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.849 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 211' ' ' ASP . . . . . . . . . . . . . 42.3 t0 -75.3 -46.71 31.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.906 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 212' ' ' LYS . . . . . . . . . . . . . 10.4 pttt -72.17 -24.89 61.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.885 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 213' ' ' LYS . . . . . . . . . . . . . 4.7 tppt? -82.96 -45.25 14.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.908 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 214' ' ' ARG . . . . . . . . . . . . . 43.4 ptt85 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.856 179.935 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo . . . . . 0 N--CA 1.465 -0.188 0 CA-C-O 120.771 0.238 . . . . 0.0 112.375 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -119.18 135.28 54.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.875 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 8.5 tp -110.38 113.68 26.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.906 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 55.98 25.91 9.32 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.052 179.756 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 95.1 13.1 53.92 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.528 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -107.73 113.87 27.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.842 0.353 . . . . 0.0 111.106 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 22.4 t -93.27 -30.01 4.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.117 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 63.5 mt-10 -77.56 142.41 39.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.852 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 37.3 t80 -57.79 -52.91 63.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.869 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.6 p -51.68 -36.6 47.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.859 -179.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 61.3 m-20 -75.38 -30.5 60.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.863 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 96.5 t -70.26 -57.2 8.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.113 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 5.2 pttt -55.38 -30.57 60.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.924 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 51.7 m -65.92 -45.95 80.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.128 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 8.7 mt -64.82 -32.87 74.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.926 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 11.8 mt -72.06 -48.92 40.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.912 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.77 -41.71 64.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.904 179.782 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 23.9 pt-20 -77.35 -41.98 38.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.858 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 35.3 t90 -64.04 -14.83 57.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.888 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 34.8 mt -102.51 -12.38 8.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.125 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 74.1 p -104.93 -55.48 2.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.126 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 12.7 t -67.86 -17.46 64.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.217 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.4 mt -127.95 127.24 67.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.183 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -106.87 -25.39 11.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.897 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -115.07 80.33 6.91 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.715 0.769 . . . . 0.0 110.878 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 157.8 59.09 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.669 2.246 . . . . 0.0 112.316 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 32.9 mtm -106.25 160.18 15.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.885 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -56.22 -34.16 66.05 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.944 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 -66.68 -51.51 55.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.891 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -57.06 -49.15 76.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.9 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 60.8 mt -62.91 -31.83 53.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.106 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 10.4 mt -64.65 -40.08 94.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.905 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 43.5 mt-30 -54.03 -29.97 45.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.865 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 14.3 t -72.98 -34.78 46.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.141 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 94.1 t -64.69 -46.87 91.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.093 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -62.14 -32.41 73.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.861 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 43.2 t80 -71.29 -48.92 47.83 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.875 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 15.3 m -67.88 -44.93 75.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.839 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 40.2 p -59.64 -25.09 64.4 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.158 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -74.07 -36.7 64.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.919 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.3 mp -54.18 -38.05 65.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.913 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.406 HD12 HG11 ' A' ' 107' ' ' VAL . 5.7 mt -61.39 -45.21 99.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.097 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 35.2 mm-40 -73.7 -36.62 65.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.885 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -83.44 -0.67 51.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.868 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 55.56 40.78 31.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.906 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -112.07 32.97 5.12 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.815 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 31.0 mt -51.95 -24.41 6.43 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.964 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -49.93 -45.49 51.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.941 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.6 mttt -79.41 -24.47 42.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.877 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 32.2 tp -55.44 -60.73 3.01 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.889 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -54.16 -27.04 31.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.849 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 53.9 mt -76.87 -46.83 23.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.921 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 90.6 t -68.86 -38.94 79.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.126 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 34.9 mm -63.2 -57.79 10.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.156 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.46 -32.25 72.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.874 179.85 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 53.7 t80 -67.03 -55.89 12.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.868 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 12.3 ptp -63.93 -27.36 69.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.842 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.39 -57.48 12.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.878 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 3.4 ptm180 -53.85 -26.18 23.23 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.86 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 52.6 mt -81.92 -53.23 6.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 20.2 mtt -62.8 -25.93 68.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.891 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 20.6 mm-40 -83.32 -46.0 13.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.851 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -74.99 -7.85 54.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.93 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 96.6 p -57.57 -178.44 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.813 -179.775 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 2.7 p -104.36 -31.67 2.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.135 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -90.35 120.9 31.87 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.939 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.1 t -61.84 -19.33 62.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.807 -179.739 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 26.4 m -60.77 -31.48 49.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.132 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 10.7 m95 -59.83 -38.79 83.02 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.888 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -56.55 -35.47 68.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.903 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 22.0 mtm -72.49 -40.9 66.53 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.88 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -52.95 -39.97 63.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.073 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 40.8 t80 -59.99 -48.29 82.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.898 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -63.32 -37.14 86.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.894 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 21.9 t80 -59.01 -46.89 87.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.953 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 16.7 mt -65.66 -38.31 82.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.103 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 24.2 mt -70.33 -33.68 71.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.899 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -60.07 -26.69 66.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.823 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -97.95 -39.66 8.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.926 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 80.0 t -72.62 -58.74 4.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.129 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 12.8 mm-40 -49.02 -29.25 4.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 7.4 t -71.43 -55.95 12.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.151 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . 0.406 HG11 HD12 ' A' ' 66' ' ' ILE . 5.9 p -65.17 -26.37 39.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.167 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -74.28 -38.64 63.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.879 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -67.09 -40.66 86.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.937 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 56.0 mt-30 -64.07 -15.1 58.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.883 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 52.7 m -95.7 -60.73 1.59 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.136 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -102.54 -42.47 5.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.994 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 111.41 -14.51 27.76 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.678 -0.773 . . . . 0.0 112.42 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -93.01 -176.33 4.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.012 0.434 . . . . 0.0 110.79 -179.666 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 75.0 p -152.53 176.75 11.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.165 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.859 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 208' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.916 0.389 . . . . 0.0 110.833 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 209' ' ' PHE . . . . . . . . . . . . . 61.4 t80 -65.25 -58.62 5.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.921 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 210' ' ' PHE . . . . . . . . . . . . . 30.9 m-85 -57.37 -24.62 56.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.885 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 211' ' ' ASP . . . . . . . . . . . . . 66.0 m-20 -76.51 -44.26 35.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.825 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 212' ' ' LYS . . . . . . . . . . . . . 16.0 ptmt -77.43 -18.98 56.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 213' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.79 -46.31 9.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.845 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 214' ' ' ARG . . . . . . . . . . . . . 15.2 ptt180 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.831 -179.928 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo . . . . . 0 C--O 1.231 0.132 0 CA-C-O 120.804 0.252 . . . . 0.0 112.298 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -126.2 135.24 51.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.878 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 9.1 tp -106.44 110.88 23.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.922 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 55.32 28.19 11.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.146 179.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 95.04 12.79 54.74 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.477 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -108.22 110.76 22.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.815 0.341 . . . . 0.0 111.065 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 21.3 t -91.89 -25.52 5.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.104 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -82.83 140.4 32.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.832 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 44.8 t80 -55.96 -53.67 54.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.871 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.49 -36.45 44.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.926 -179.806 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 47.8 t0 -75.06 -31.49 61.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.881 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 97.2 t -69.72 -56.77 10.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.108 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 6.6 pttt -55.5 -31.81 62.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.903 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 54.6 m -64.81 -45.54 85.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.182 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 13.8 mt -64.85 -32.69 74.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.919 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 10.3 mt -72.56 -49.98 28.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.935 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -52.62 -40.82 63.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.872 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 26.5 pt-20 -77.14 -36.78 55.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.889 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 29.5 t90 -70.36 -15.1 62.82 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.973 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.426 ' O ' ' CG2' ' A' ' 44' ' ' ILE . 19.3 mt -106.16 6.38 10.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.149 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 44.6 p -122.35 -54.81 1.87 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.187 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 13.5 t -74.47 -6.92 51.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.2 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.2 mt -136.74 128.65 43.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.096 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.3 p -106.85 -25.36 11.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.828 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -112.25 78.44 2.5 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.593 0.711 . . . . 0.0 110.909 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 137.24 34.96 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.645 2.23 . . . . 0.0 112.348 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 10.9 ttm -86.65 156.54 19.96 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.823 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -57.13 -50.36 73.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.926 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 28.2 tp10 -51.79 -33.55 35.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.934 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -75.24 -39.72 59.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.818 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 60.1 mt -68.18 -44.4 84.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.168 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -51.65 -38.51 55.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -54.24 -31.8 54.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.932 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 13.2 t -73.22 -34.51 44.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.139 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 98.8 t -66.3 -49.92 72.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.097 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 19.1 mmt180 -59.63 -27.28 66.19 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.814 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 72.6 t80 -74.94 -53.9 8.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.956 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 19.5 m -64.77 -43.45 93.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.899 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 40.6 p -58.83 -27.27 64.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.159 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -74.05 -36.41 64.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.85 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.7 mp -54.17 -36.92 63.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.926 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 5.6 mt -60.8 -47.32 93.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.131 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -73.83 -33.26 64.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.935 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -84.58 -1.87 56.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.852 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 4.3 mmmm 56.61 41.17 28.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -112.2 32.77 5.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.86 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 20.4 mt -53.14 -23.92 9.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.922 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -50.5 -47.14 57.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.856 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -78.8 -23.42 45.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 22.7 tp -55.78 -61.87 2.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.921 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -53.74 -27.24 27.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.869 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 52.5 mt -76.5 -45.42 31.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.98 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 90.5 t -69.76 -39.29 77.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.107 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 37.6 mm -63.09 -57.52 11.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.176 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.22 -33.07 72.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.858 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 55.1 t80 -66.35 -56.31 11.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.923 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 12.3 ptp -63.39 -27.18 69.13 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.942 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.89 -57.39 12.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.914 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 2.9 ptm180 -54.5 -26.16 29.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.84 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 58.2 mt -81.38 -54.38 5.52 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.901 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 25.8 mtt -61.74 -28.46 69.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.92 179.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 22.4 mm-40 -79.07 -47.49 16.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -72.18 -17.98 61.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.918 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 3.6 m -51.98 153.59 2.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.8 -179.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 3.8 p -76.28 -32.74 22.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.164 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -86.07 129.53 34.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.92 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 52.0 p -71.47 -25.93 62.5 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.868 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 11.3 p -54.82 -27.32 18.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.167 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 19.4 m95 -63.77 -37.76 88.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.912 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 8.3 m-80 -59.17 -35.29 73.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.912 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 21.3 mtm -72.33 -41.26 66.7 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.928 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -53.1 -40.04 63.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.11 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 38.8 t80 -58.58 -51.4 70.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.866 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -61.14 -38.3 85.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 25.8 t80 -57.77 -47.76 81.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.902 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 19.5 mt -65.22 -39.97 87.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.104 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 22.7 mt -67.84 -34.91 77.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.879 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -59.56 -25.4 64.53 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 29.3 m-80 -97.98 -42.04 7.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.84 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 74.8 t -71.14 -58.4 5.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.091 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 15.9 mm-40 -49.19 -29.15 5.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.938 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 5.9 t -71.69 -55.67 12.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.177 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 5.2 p -65.47 -26.5 39.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.065 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -74.27 -38.57 63.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -67.54 -41.21 84.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.936 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 -64.04 -14.79 56.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.92 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 71.4 m -95.55 -60.85 1.57 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.164 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 11.3 m-85 -102.17 -42.6 6.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.924 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 111.86 -14.39 26.69 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.528 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.2 t -93.98 -174.72 3.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.956 0.408 . . . . 0.0 110.838 -179.74 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 74.9 p -152.64 -179.5 7.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.217 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.855 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 208' ' ' SER . . . . . . . . . . . . . 1.1 p . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.855 0.36 . . . . 0.0 110.84 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 209' ' ' PHE . . . . . . . . . . . . . 42.1 t80 -67.48 -37.95 83.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.912 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 210' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -65.93 -24.54 66.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.891 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 211' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -75.16 -41.02 59.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 212' ' ' LYS . . . . . . . . . . . . . 11.8 ptmt -77.73 -18.55 56.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.931 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 213' ' ' LYS . . . . . . . . . . . . . 2.0 tmtt? -88.0 -41.23 13.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.906 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 214' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.815 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 N--CA 1.466 -0.131 0 CA-C-O 120.811 0.254 . . . . 0.0 112.341 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -125.27 139.36 53.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.92 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 10.6 tp -105.72 113.56 27.2 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.936 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 55.37 27.57 10.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.038 179.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 94.42 12.99 55.35 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.519 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -105.5 111.89 24.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.743 0.306 . . . . 0.0 111.101 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 37.4 t -91.03 -32.18 5.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.13 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -80.26 137.74 36.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.949 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 41.7 t80 -53.35 -50.89 64.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -51.99 -37.02 51.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.864 -179.795 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 80.7 m-20 -74.41 -29.88 61.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.901 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 96.3 t -71.51 -56.07 11.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.068 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 5.7 pttt -57.14 -30.37 64.37 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 57.5 m -69.5 -37.71 77.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.134 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 21.0 mt -70.2 -36.05 74.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.927 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.7 mt -72.22 -45.94 58.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.874 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 10.8 ttpt -53.24 -42.7 66.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.872 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -77.22 -42.26 38.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.833 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 35.6 t90 -63.65 -14.56 53.01 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.863 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 45.1 mt -102.57 -15.26 7.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.048 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 74.4 p -101.41 -55.89 2.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.128 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 12.9 t -66.27 -16.41 64.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.138 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.3 mt -128.76 127.01 66.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.128 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -106.7 -25.57 11.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.835 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -112.65 78.32 2.73 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.553 0.692 . . . . 0.0 110.8 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 148.87 66.03 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.729 2.286 . . . . 0.0 112.325 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 18.3 mtm -95.38 155.89 16.55 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -55.07 -40.28 70.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.908 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -64.79 -49.23 71.51 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.888 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -55.26 -43.75 74.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 60.4 mt -69.26 -30.94 47.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.182 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.7 mt -64.29 -36.25 83.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.917 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 3.1 mm100 -54.6 -31.31 56.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.953 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 14.6 t -71.8 -34.62 52.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.142 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 92.9 t -63.03 -52.15 62.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.099 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 25.1 mmt180 -59.6 -25.81 64.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.86 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 74.2 t80 -75.27 -52.24 11.34 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.953 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 39.5 m -67.27 -46.24 74.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.88 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 35.0 p -52.84 -28.17 21.67 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.122 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 58.9 m-20 -73.68 -38.6 64.84 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.837 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -54.08 -31.72 52.7 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.892 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.415 HD11 HG13 ' A' ' 107' ' ' VAL . 5.6 mt -66.82 -49.64 72.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.041 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 48.3 mm-40 -73.17 -24.24 60.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.911 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -90.85 -10.95 40.8 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.889 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 59.4 mmtt 64.66 42.18 4.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.95 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -114.4 37.41 3.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.865 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 22.5 mt -57.67 -17.97 17.92 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.939 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -50.25 -55.7 14.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.961 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.59 -22.38 47.18 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.93 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 44.3 tp -54.42 -57.27 11.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.92 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.78 -26.6 64.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.915 179.833 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 56.6 mt -76.79 -43.45 36.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 92.6 t -69.03 -39.46 79.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.158 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 34.4 mm -63.16 -57.71 10.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.124 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.19 -32.17 71.93 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 60.3 t80 -67.36 -56.43 9.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.936 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 11.7 ptp -62.68 -27.52 69.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.89 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.52 -57.73 11.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 3.5 ptm180 -54.41 -25.67 26.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.869 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 43.1 mt -81.62 -53.65 6.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.927 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 19.4 mtt -63.31 -26.08 68.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.944 179.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 19.1 mm-40 -81.91 -42.18 19.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.919 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -80.6 -5.54 56.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 92.9 p -57.36 -179.17 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.824 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 2.7 p -104.18 -32.59 2.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.137 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 68.4 mm-40 -91.92 119.48 31.72 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.801 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -56.66 -24.98 52.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.8 -179.772 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 14.0 p -54.78 -32.06 25.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.098 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 7.9 m95 -61.25 -37.64 83.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.881 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 7.4 m120 -57.79 -38.46 75.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.909 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 33.8 mtm -72.47 -38.1 68.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.859 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -53.08 -43.48 66.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.12 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 39.1 t80 -57.52 -46.64 83.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.953 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -65.32 -36.12 83.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.892 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 23.6 t80 -59.14 -43.23 92.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 13.1 mt -70.21 -38.51 74.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.102 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 24.0 mt -69.41 -34.25 74.21 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.893 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -60.34 -27.3 67.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.864 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 9.1 m-80 -97.86 -38.61 9.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.944 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 79.2 t -73.2 -59.07 3.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.16 179.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 14.4 mm-40 -49.18 -29.25 5.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 5.1 t -70.59 -57.06 8.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.187 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . 0.415 HG13 HD11 ' A' ' 66' ' ' ILE . 5.6 p -64.52 -25.28 37.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.144 179.852 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -74.41 -38.99 62.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 23.0 mt-30 -66.89 -41.44 87.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.922 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -63.2 -15.52 57.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.904 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 57.1 m -95.67 -60.89 1.55 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.114 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -102.16 -43.03 5.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.86 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 111.48 -14.37 27.63 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.448 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.2 t -93.21 -176.39 4.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.971 0.415 . . . . 0.0 110.89 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 70.8 p -152.74 -178.02 6.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.093 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.945 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 208' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.923 0.392 . . . . 0.0 110.822 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 209' ' ' PHE . . . . . . . . . . . . . 70.7 t80 -56.02 -47.58 77.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.89 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 210' ' ' PHE . . . . . . . . . . . . . 40.2 m-85 -59.66 -24.36 63.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.854 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 211' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -76.73 -44.29 33.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.857 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 212' ' ' LYS . . . . . . . . . . . . . 11.6 pttt -77.37 -18.79 57.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.892 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 213' ' ' LYS . . . . . . . . . . . . . 8.7 tmtt? -86.67 -44.77 11.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.898 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 214' ' ' ARG . . . . . . . . . . . . . 38.4 ptt85 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.86 179.986 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 N--CA 1.465 -0.158 0 CA-C-O 120.733 0.222 . . . . 0.0 112.302 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -118.3 136.36 53.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.902 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -107.19 114.94 29.3 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.954 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 56.56 29.01 14.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.116 179.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 90.56 12.97 60.36 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.426 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -107.78 117.4 34.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.862 0.363 . . . . 0.0 111.065 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 21.9 t -93.64 -45.26 13.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.069 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -67.14 136.82 55.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.879 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 31.1 t80 -52.55 -51.52 59.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.822 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 74.2 p -51.71 -37.13 49.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.799 -179.727 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 68.6 m-20 -74.52 -29.47 61.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.853 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 40.8 t -71.26 -56.88 9.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.184 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.0 ptmt -56.32 -34.56 66.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.947 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 51.7 m -62.99 -40.08 96.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.127 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 44.1 mt -66.56 -36.75 83.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.957 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.8 mt -71.95 -46.06 58.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.928 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 12.0 ttpt -52.7 -43.29 65.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.844 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -77.26 -42.83 35.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.834 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 38.9 t90 -63.58 -14.94 56.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.873 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 53.3 mt -101.94 -14.68 8.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.128 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 69.6 p -102.65 -55.86 2.36 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.136 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 12.8 t -65.61 -16.71 63.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.1 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.3 mt -127.91 133.98 66.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.156 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -107.37 -33.11 7.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.805 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -110.75 82.68 3.07 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.523 0.678 . . . . 0.0 110.791 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 144.55 54.16 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.627 2.218 . . . . 0.0 112.377 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 9.0 ttp -89.09 159.76 17.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.896 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 81.0 tt0 -56.49 -51.44 68.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.92 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 66.7 mm-40 -52.31 -50.95 61.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.911 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -55.17 -47.11 75.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.905 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 57.1 mt -65.71 -30.77 51.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.151 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 7.1 mt -66.61 -35.54 80.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.955 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 3.5 mm-40 -54.1 -31.73 52.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.864 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 13.9 t -71.66 -34.64 52.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.112 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 97.5 t -63.77 -52.89 51.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.099 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 12.7 mmm180 -59.44 -26.56 65.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.89 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 72.1 t80 -75.53 -53.78 8.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.973 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 17.6 m -65.44 -43.44 90.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.918 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 39.4 p -56.9 -27.15 60.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.132 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 62.0 m-20 -74.21 -37.25 63.92 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.819 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.9 mp -54.52 -33.74 60.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.856 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.409 HD13 HG11 ' A' ' 107' ' ' VAL . 5.4 mt -63.88 -47.89 88.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.119 179.841 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -73.73 -33.08 64.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.829 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -82.89 -8.43 59.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.829 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 3.2 mmmt 63.3 38.8 10.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -109.98 35.68 3.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.91 179.832 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 19.3 mt -53.27 -24.88 12.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.904 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -50.46 -47.79 56.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.845 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 5.5 mtpt -78.73 -22.63 46.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 24.0 tp -58.02 -61.72 2.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.92 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -54.27 -27.02 32.28 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.852 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 47.3 mt -76.72 -47.73 20.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.906 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 87.1 t -68.2 -37.75 78.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.12 179.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 33.7 mm -65.1 -57.34 11.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.155 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.83 -30.36 70.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.875 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 56.8 t80 -68.48 -56.72 7.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.907 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 12.9 ptp -62.35 -27.36 69.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.831 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.03 -57.4 13.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.934 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 3.7 ptm180 -54.66 -26.35 32.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.864 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 66.4 mt -80.72 -54.66 5.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.914 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 26.9 mtt -62.01 -28.63 69.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.844 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -78.84 -48.49 14.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.939 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -69.3 -19.88 63.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.951 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 21.8 m -51.75 152.96 2.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.806 -179.758 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 3.5 p -77.02 -33.05 20.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.211 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 46.8 mp0 -84.75 128.77 34.77 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.897 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 4.4 p -71.67 -24.39 61.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.839 -179.76 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 10.8 p -54.78 -26.33 16.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.132 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 37.4 m95 -65.66 -33.46 75.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.943 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 7.8 m-80 -60.85 -35.91 77.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.905 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 18.0 mtm -72.52 -39.8 67.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.877 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -53.48 -44.05 68.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.173 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 32.1 t80 -56.57 -49.45 74.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.932 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.0 -35.89 81.73 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.819 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 19.4 t80 -60.66 -44.8 96.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.857 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 21.2 mt -68.78 -38.26 78.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.11 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 21.3 mt -70.47 -33.98 71.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.935 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -59.79 -25.98 65.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.851 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 30.3 m-80 -97.81 -41.33 8.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.837 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 75.1 t -71.36 -58.5 5.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.151 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 14.3 mm-40 -49.04 -29.32 4.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.984 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 6.2 t -71.5 -55.41 13.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.112 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . 0.409 HG11 HD13 ' A' ' 66' ' ' ILE . 5.6 p -65.96 -25.47 36.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.14 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -74.17 -38.72 63.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.003 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -66.85 -41.11 87.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.944 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -63.36 -15.68 58.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.922 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 52.7 m -95.75 -60.48 1.64 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.145 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -102.44 -43.11 5.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.97 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 111.09 -14.35 28.59 Favored Glycine 0 C--N 1.331 0.298 0 C-N-CA 120.659 -0.781 . . . . 0.0 112.498 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 94.4 p -93.31 -177.7 4.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.941 0.4 . . . . 0.0 110.908 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 82.1 p -152.64 170.81 19.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.14 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 208' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.232 0.168 0 CA-C-O 120.818 0.342 . . . . 0.0 110.909 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 209' ' ' PHE . . . . . . . . . . . . . 65.1 t80 -61.92 -36.86 82.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 210' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 -67.66 -25.83 65.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.91 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 211' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -75.72 -42.53 50.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.834 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 212' ' ' LYS . . . . . . . . . . . . . 11.2 ptpt -77.22 -24.99 51.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.866 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 213' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -77.92 -34.29 51.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.905 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 214' ' ' ARG . . . . . . . . . . . . . 2.2 ptm180 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.827 -179.932 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo . . . . . 0 C--O 1.231 0.139 0 CA-C-O 120.787 0.245 . . . . 0.0 112.347 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -118.38 135.31 54.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.969 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.5 tp -98.81 102.84 14.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.881 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 58.4 36.11 25.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.14 179.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 94.97 -7.88 70.11 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.465 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -88.66 111.14 21.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.842 0.353 . . . . 0.0 111.132 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 24.9 t -93.43 -37.65 8.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.141 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 65.9 mt-10 -73.22 141.96 47.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.863 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 37.8 t80 -54.82 -51.53 65.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.896 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.8 p -52.04 -37.13 52.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.872 -179.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 83.3 m-20 -73.29 -29.98 63.09 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.861 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 97.5 t -72.01 -56.72 9.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.092 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.5 ptmt -56.43 -31.88 64.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.936 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 52.1 m -67.92 -38.45 82.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.113 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 65.2 mt -70.47 -35.44 73.31 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.86 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.8 mt -71.98 -46.68 56.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.925 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 3.5 ttpt -53.01 -43.08 66.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.836 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -76.89 -42.25 40.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.89 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 36.8 t90 -63.48 -14.84 54.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.91 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 42.8 mt -101.93 -16.26 7.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.116 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 77.5 p -100.26 -55.52 2.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.125 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 13.1 t -66.45 -16.35 64.04 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.121 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.4 mt -129.67 126.24 62.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.129 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.5 m -106.87 -25.43 11.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.774 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -113.35 78.69 3.56 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.581 0.705 . . . . 0.0 110.861 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 153.01 69.25 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.707 2.271 . . . . 0.0 112.339 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 40.6 mtm -100.38 161.04 13.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.889 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -57.53 -36.4 71.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.872 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -67.38 -50.45 59.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -55.29 -51.44 66.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.777 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 57.9 mt -63.16 -30.74 50.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.157 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 5.3 mt -66.31 -37.82 86.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.883 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 24.1 mm100 -54.11 -29.53 45.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.881 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 15.2 t -73.3 -34.65 44.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.1 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 97.4 t -62.0 -52.16 63.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.132 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 30.8 mmt180 -59.5 -25.24 64.29 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.877 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 67.8 t80 -75.55 -52.22 11.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.857 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 42.1 m -67.25 -45.91 75.31 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.884 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 38.0 p -54.03 -27.84 34.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.1 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 75.2 m-20 -73.73 -37.85 64.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.88 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -54.23 -35.84 62.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.909 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.41 HD13 HG13 ' A' ' 107' ' ' VAL . 5.2 mt -61.52 -49.3 84.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.115 179.84 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -73.18 -30.42 63.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.886 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -86.09 -2.82 58.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.964 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER 56.46 43.22 26.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.905 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -114.49 33.51 5.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.821 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 20.9 mt -57.06 -18.18 13.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.926 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 18.7 tp10 -49.85 -54.66 18.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.918 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.56 -22.75 46.73 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.954 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 38.0 tp -53.16 -52.39 58.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.12 -27.89 69.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.873 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 36.1 mt -76.17 -39.83 53.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.906 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 90.5 t -73.31 -45.95 51.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.149 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 28.8 mm -55.83 -55.16 19.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.149 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.52 -35.7 81.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.885 179.821 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 52.0 t80 -64.12 -50.34 68.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.94 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 10.7 ptp -67.76 -27.51 66.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.934 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.36 -57.22 13.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.896 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 4.7 ptm180 -53.66 -27.22 26.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 27.9 mt -81.24 -54.07 5.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.957 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 21.1 mtt -60.66 -29.41 69.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.931 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -78.21 -50.12 12.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.865 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -69.55 -18.53 63.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 7.2 m -51.67 151.37 3.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.833 -179.772 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 3.4 p -74.09 -32.06 31.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.198 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -84.57 126.62 33.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.877 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 2.2 t -71.61 -25.89 62.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.839 -179.752 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 10.8 p -55.02 -26.88 18.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.086 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 14.9 m95 -61.85 -34.84 76.71 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.961 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 7.3 m-80 -57.26 -38.78 74.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.863 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 23.2 mtm -72.47 -38.79 68.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.926 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -53.09 -45.33 68.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.061 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 39.7 t80 -56.68 -46.58 81.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.859 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 42.8 t0 -65.24 -35.64 81.66 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 28.1 t80 -60.12 -45.06 94.26 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.912 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 13.0 mt -68.58 -38.45 79.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.136 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 24.2 mt -69.49 -34.21 73.99 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.97 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -60.05 -27.57 67.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.815 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 10.8 m-80 -97.74 -39.13 9.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.849 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 78.1 t -72.65 -58.96 3.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.093 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 13.7 mm-40 -49.07 -29.33 4.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.948 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 5.6 t -70.63 -57.15 8.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.109 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . 0.41 HG13 HD13 ' A' ' 66' ' ' ILE . 5.4 p -64.36 -25.73 38.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.108 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -74.34 -38.75 63.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.925 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 14.9 mt-30 -67.13 -41.33 86.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.926 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 45.9 mt-30 -63.86 -14.84 56.53 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.924 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 54.6 m -96.13 -60.27 1.66 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.134 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 -102.69 -42.82 5.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.917 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 111.44 -14.5 27.69 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.486 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -94.08 -175.29 3.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.854 0.359 . . . . 0.0 110.917 -179.773 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 67.2 p -152.61 176.35 11.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.13 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.932 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 208' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.913 0.387 . . . . 0.0 110.889 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 209' ' ' PHE . . . . . . . . . . . . . 73.7 t80 -77.39 -40.81 42.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.961 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 210' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 -63.06 -25.38 68.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.86 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 211' ' ' ASP . . . . . . . . . . . . . 15.1 t0 -74.75 -47.23 32.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.86 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 212' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -70.55 -25.33 63.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 213' ' ' LYS . . . . . . . . . . . . . 10.3 tppt? -82.95 -53.37 5.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.919 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 214' ' ' ARG . . . . . . . . . . . . . 11.8 ptp180 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.885 179.974 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo . . . . . 0 N--CA 1.466 -0.121 0 CA-C-O 120.81 0.254 . . . . 0.0 112.344 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -128.13 135.26 49.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.876 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.4 tp -103.07 110.86 22.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 55.11 28.05 10.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.086 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 95.03 13.11 54.13 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.492 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -108.12 110.47 22.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.865 0.364 . . . . 0.0 111.058 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 21.9 t -89.68 -34.02 6.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.123 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -73.15 144.64 46.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.907 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 37.0 t80 -60.19 -52.77 63.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.881 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 13.5 p -52.15 -36.48 51.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.819 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 42.1 t0 -73.8 -29.66 62.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.885 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 94.9 t -72.2 -56.28 10.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.14 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.6 ptmt -57.13 -33.51 67.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.854 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 54.2 m -65.77 -38.32 88.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.129 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 19.8 mt -70.43 -36.5 74.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.925 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 12.5 mt -71.86 -44.14 64.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.883 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 14.4 ttpt -52.0 -46.25 64.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.937 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 19.8 pt-20 -77.4 -40.6 43.08 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.83 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 32.2 t90 -63.07 -15.38 56.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.925 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 45.6 mt -102.04 -15.6 7.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.142 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 82.8 p -100.66 -56.0 2.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.113 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 13.4 t -65.9 -14.39 61.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.072 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.4 mt -130.33 128.07 63.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.122 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -107.01 -26.41 11.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.851 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -114.74 80.98 6.83 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.613 0.721 . . . . 0.0 110.844 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 149.92 67.08 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.721 2.281 . . . . 0.0 112.243 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 6.3 mtp -98.3 152.16 19.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -54.59 -28.91 49.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.952 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -71.07 -42.23 69.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.825 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -69.38 -45.77 68.51 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.895 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 54.9 mt -64.35 -32.59 58.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.209 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 8.2 mt -63.03 -39.39 94.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.872 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 8.0 mm-40 -54.11 -30.98 50.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.891 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 15.0 t -71.85 -34.5 51.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.165 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 92.4 t -65.44 -52.06 56.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.085 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 17.6 mmm180 -59.51 -25.67 64.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.827 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 59.2 t80 -75.08 -52.65 10.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.935 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 34.6 m -66.89 -45.84 76.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.859 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 36.0 p -53.81 -28.2 33.93 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.09 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 39.4 m-20 -73.85 -38.18 64.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.897 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -53.86 -30.56 46.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.965 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.411 HD12 HG11 ' A' ' 107' ' ' VAL . 5.9 mt -67.83 -47.03 81.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.201 179.798 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 37.0 mm-40 -73.12 -28.25 62.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 60.2 mm-40 -88.76 -11.22 45.63 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.895 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 48.4 mmtt 64.81 42.87 4.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.917 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -113.64 36.61 3.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.806 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 22.2 mt -57.24 -18.51 16.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.882 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 48.5 tt0 -49.91 -54.46 19.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.89 -22.19 46.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.862 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 36.7 tp -54.68 -58.01 9.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.941 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -57.21 -27.67 62.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 47.0 mt -76.6 -43.86 36.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.854 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 90.9 t -70.36 -40.18 77.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.156 179.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 32.8 mm -63.67 -55.16 24.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.141 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.405 ' HA ' ' HG2' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -63.23 -25.57 68.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.944 179.775 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 38.4 t80 -79.05 -43.53 24.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.89 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 14.2 ptp -74.94 -31.93 61.62 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.922 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.405 ' HG2' ' HA ' ' A' ' 79' ' ' LYS . 0.0 OUTLIER -70.66 -31.82 68.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.917 179.886 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 10.1 ptt85 -71.97 -29.57 64.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.863 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 17.6 mt -82.35 -55.3 4.59 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.943 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 37.2 mtt -55.23 -26.53 40.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.864 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 59.4 mt-30 -80.21 -51.12 9.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.962 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -71.04 -10.04 59.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.923 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -55.66 177.05 0.05 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 -179.81 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 3.1 p -96.97 -32.73 4.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.161 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -85.5 125.73 33.28 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.916 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 5.4 p -66.82 -27.54 67.64 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 6.9 p -54.93 -27.41 18.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.169 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 11.1 m95 -63.29 -34.15 77.05 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.973 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 11.6 m-80 -57.82 -42.24 83.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.912 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 23.9 mtm -72.59 -38.09 67.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -53.15 -43.29 66.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.075 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 24.4 t80 -61.28 -41.98 97.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.819 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -67.82 -33.61 75.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.847 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 31.6 t80 -59.13 -45.27 91.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.855 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 6.0 mt -67.5 -42.41 86.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.188 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 7.0 mt -66.2 -35.0 79.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.955 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -60.24 -27.77 67.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.877 179.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 13.7 m-80 -98.33 -37.8 9.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 84.1 t -74.57 -59.83 2.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.099 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 8.3 mm-40 -49.0 -28.88 4.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.905 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 3.9 t -70.9 -57.14 8.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.124 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . 0.411 HG11 HD12 ' A' ' 66' ' ' ILE . 5.9 p -63.95 -25.15 37.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.136 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -74.09 -39.24 63.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 17.5 mt-30 -66.23 -41.09 90.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.951 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 -64.09 -14.95 58.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.87 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 53.2 m -95.77 -60.95 1.54 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.142 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 -101.33 -43.18 6.03 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.952 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 104.98 42.42 1.8 Allowed Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.502 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 3.0 m -153.04 178.31 9.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.0 0.429 . . . . 0.0 110.855 -179.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 58.7 p -151.74 145.01 24.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.193 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.886 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 208' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.898 0.38 . . . . 0.0 110.835 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 209' ' ' PHE . . . . . . . . . . . . . 82.7 t80 -67.69 -43.17 80.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.846 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 210' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 -60.37 -24.38 65.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 211' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -76.83 -44.26 33.08 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.808 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 212' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -77.29 -19.16 56.84 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.918 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 213' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -84.89 -44.0 13.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.935 179.855 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 214' ' ' ARG . . . . . . . . . . . . . 7.6 ptm180 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.858 179.984 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo . . . . . 0 C--O 1.23 0.103 0 CA-C-O 120.789 0.245 . . . . 0.0 112.388 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -123.83 145.82 48.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.857 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 12.8 tp -102.56 113.76 27.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.916 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 55.58 27.26 10.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.097 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 95.04 12.99 54.5 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.516 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -104.6 117.83 35.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.778 0.323 . . . . 0.0 111.058 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 31.6 t -94.58 -40.57 11.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.136 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -69.81 136.3 50.64 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.886 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 48.4 t80 -55.19 -49.78 71.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.849 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -51.74 -37.8 52.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.871 -179.825 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -74.16 -29.57 61.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.861 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 93.0 t -71.57 -57.25 7.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.186 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 6.5 pttt -56.48 -31.87 64.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.936 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 53.8 m -67.74 -38.75 83.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.149 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 10.8 mt -69.72 -36.06 75.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.904 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 10.2 mt -72.05 -45.97 58.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.938 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 11.1 ttpt -52.94 -42.88 65.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.907 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -77.21 -41.97 39.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.915 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 35.8 t90 -63.14 -15.41 56.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.928 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 40.0 mt -101.93 -13.69 8.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.125 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 71.4 p -103.65 -56.14 2.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.08 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 13.1 t -64.92 -15.98 62.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.181 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.2 mt -127.35 130.36 70.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.078 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 58.6 m -107.39 -28.92 9.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.872 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -111.24 81.42 2.88 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.609 0.719 . . . . 0.0 110.898 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.85 138.49 37.65 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.663 2.242 . . . . 0.0 112.329 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 49.9 mtm -85.92 157.43 20.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -58.21 -40.24 81.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.898 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 39.6 tp10 -65.27 -46.76 79.18 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -57.39 -50.48 72.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.908 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 60.4 mt -64.43 -31.42 53.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.163 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.5 mt -63.19 -39.34 94.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.919 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 15.2 mm-40 -53.87 -32.28 52.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 16.1 t -71.0 -34.51 55.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.08 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 82.0 t -62.19 -51.68 69.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.159 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 12.8 mmm180 -58.85 -25.6 63.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.854 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 69.2 t80 -74.71 -52.69 10.91 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.916 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 67.5 m -67.75 -46.12 72.99 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.828 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 74.5 p -55.09 -26.61 39.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.12 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 40.6 m-20 -73.55 -38.42 65.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.886 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.8 mp -54.47 -31.84 56.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.946 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.413 HG12 ' HB2' ' A' ' 108' ' ' LEU . 3.7 mt -65.41 -46.46 90.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.176 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 52.4 mm-40 -73.92 -34.04 64.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.846 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 39.2 mm-40 -82.36 -10.23 59.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 51.4 mmtt 65.08 40.08 5.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 22.8 m-20 -111.52 36.86 3.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.849 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 25.2 mt -53.81 -23.3 11.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.937 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -50.24 -49.33 53.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.928 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 5.0 mtpt -78.87 -22.7 45.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.864 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 23.9 tp -57.41 -55.6 32.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.956 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -59.02 -26.68 64.77 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.881 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 45.4 mt -76.93 -49.19 16.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.939 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 88.6 t -68.27 -38.3 79.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.157 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 29.5 mm -67.07 -53.37 34.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.118 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.426 ' HA ' ' HG2' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -64.3 -25.16 67.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.942 179.826 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 38.7 t80 -81.03 -43.48 19.51 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.908 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 14.5 ptp -74.37 -32.5 62.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.95 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.426 ' HG2' ' HA ' ' A' ' 79' ' ' LYS . 0.0 OUTLIER -70.68 -32.34 69.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.87 179.923 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 2.4 ptm180 -71.14 -28.72 64.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.805 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 17.0 mt -82.6 -53.3 6.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.923 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 25.3 mtt -57.46 -29.22 64.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -78.25 -50.56 11.64 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.899 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -70.51 -10.61 59.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.916 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 5.1 m -55.08 176.98 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.886 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 2.7 p -99.64 -31.62 3.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.128 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 35.4 mp0 -83.47 132.35 34.96 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.909 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.2 m -71.51 -25.65 62.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.85 -179.781 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 9.5 p -61.11 -25.06 35.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.079 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 8.7 m95 -66.48 -34.14 77.25 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.002 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -58.13 -41.38 83.52 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.935 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 22.7 mtm -72.83 -34.07 66.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.855 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -53.49 -46.06 69.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.095 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 25.4 t80 -61.29 -38.86 88.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.864 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -68.81 -34.1 74.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.888 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 38.2 t80 -58.89 -48.58 80.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.896 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 5.2 mt -63.77 -41.48 92.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.115 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 22.6 mt -67.64 -33.05 74.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.972 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -60.96 -29.64 69.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.84 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 17.1 m-80 -98.31 -34.85 10.52 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.923 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 81.2 t -76.2 -60.78 2.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.095 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 16.0 mm-40 -49.36 -29.24 5.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.896 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 3.0 t -69.29 -55.6 14.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.145 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 7.0 p -66.52 -25.14 34.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.07 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.413 ' HB2' HG12 ' A' ' 66' ' ' ILE . 0.1 OUTLIER -74.39 -39.29 62.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.932 179.939 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 21.4 mt-30 -66.55 -40.85 89.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.958 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 44.3 mt-30 -64.41 -14.83 58.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 68.5 m -95.53 -59.66 1.83 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.22 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -104.47 -42.59 5.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.933 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 110.97 -14.39 28.9 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.468 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 23.1 m -94.32 -172.65 2.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.902 0.382 . . . . 0.0 110.9 -179.731 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 69.9 p -152.58 -177.91 6.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.112 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.966 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 208' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.938 0.399 . . . . 0.0 110.819 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 209' ' ' PHE . . . . . . . . . . . . . 83.7 t80 -55.99 -47.32 77.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.874 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 210' ' ' PHE . . . . . . . . . . . . . 38.2 m-85 -61.63 -28.42 69.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.858 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 211' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -72.83 -43.17 62.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.89 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 212' ' ' LYS . . . . . . . . . . . . . 8.1 ptpp? -77.48 -21.52 52.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.83 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 213' ' ' LYS . . . . . . . . . . . . . 5.2 tppt? -87.34 -49.71 7.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.876 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 214' ' ' ARG . . . . . . . . . . . . . 8.1 ptm180 . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 179.976 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 N--CA 1.466 -0.135 0 CA-C-O 120.812 0.255 . . . . 0.0 112.341 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -120.58 135.74 55.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.896 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 13.6 tp -103.52 117.36 34.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.928 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 53.84 35.81 22.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.102 179.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 82.14 12.9 80.18 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.517 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -108.44 113.61 26.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.801 0.334 . . . . 0.0 111.062 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 20.3 t -92.34 -40.44 12.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.199 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -70.02 134.7 48.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.893 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 29.7 t80 -52.43 -53.07 50.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.882 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 74.9 p -50.31 -32.5 17.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -80.27 -35.39 36.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.833 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 88.5 t -64.81 -57.36 11.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.111 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 7.5 pttt -53.28 -30.41 38.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.913 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 88.2 m -62.66 -39.6 94.44 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.134 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 12.7 mt -68.45 -38.77 81.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.907 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 8.6 mt -68.15 -46.47 70.7 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.923 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 15.5 ttpt -53.16 -45.14 68.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.893 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -77.31 -39.78 46.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.953 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 35.1 t90 -63.92 -14.13 51.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.893 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 34.5 mt -104.14 -13.34 8.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.086 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 80.5 p -103.04 -55.45 2.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.121 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 12.7 t -69.79 -19.03 63.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.196 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.5 mt -127.11 125.93 67.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.149 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.2 p -107.19 -24.24 11.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.82 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -118.91 82.0 20.32 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.568 0.699 . . . . 0.0 110.853 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.86 154.24 67.55 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.634 2.223 . . . . 0.0 112.298 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 15.8 ttp -92.45 155.05 18.11 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.897 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -51.53 -39.68 58.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.912 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 29.5 mm-40 -68.69 -44.36 74.14 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.93 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -55.54 -51.24 67.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.879 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 56.5 mt -63.13 -30.93 50.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.09 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 5.2 mt -67.23 -37.22 83.22 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.908 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 43.2 mm-40 -54.04 -33.68 57.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 10.7 t -70.43 -34.6 58.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.153 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 93.1 t -63.76 -47.87 89.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.103 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -62.01 -30.33 70.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.866 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 67.3 t80 -72.28 -50.34 27.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.913 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 46.4 m -67.56 -46.75 71.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.895 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 36.4 p -54.44 -28.36 43.66 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.119 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 48.5 m-20 -73.71 -37.62 65.1 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.815 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -54.15 -30.91 50.93 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.404 HD13 HG13 ' A' ' 107' ' ' VAL . 5.3 mt -67.14 -49.41 73.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.117 179.845 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -73.21 -26.73 61.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.869 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -88.45 -10.88 47.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.4 mmmt 64.02 43.38 5.21 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.884 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 58.4 m-20 -115.12 35.61 4.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.826 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 22.3 mt -57.37 -18.2 16.35 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.874 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -49.96 -54.58 18.95 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.79 -22.74 45.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.905 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 37.5 tp -54.09 -58.37 7.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.887 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -57.84 -26.84 62.59 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.838 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 61.4 mt -76.48 -42.8 42.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 93.7 t -70.74 -43.15 77.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.131 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 30.9 mm -56.4 -57.66 8.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.119 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.97 -36.28 82.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.955 179.828 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 56.2 t80 -62.59 -50.91 69.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.904 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 8.9 ptp -67.69 -26.67 66.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.924 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.6 -58.58 6.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 3.6 ptm180 -52.12 -28.35 17.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.907 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 46.3 mt -81.55 -54.49 5.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 22.1 mtt -58.62 -30.08 66.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.879 179.792 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 21.0 mm-40 -78.94 -53.92 6.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.949 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -66.02 -15.51 63.09 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.93 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -53.46 172.68 0.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 -179.758 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 3.2 p -96.36 -32.82 4.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.191 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -85.89 112.84 21.53 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.85 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.1 t -57.51 -25.33 59.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.795 -179.767 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 9.3 p -54.24 -27.07 16.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.155 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 13.1 m95 -64.37 -37.74 88.57 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.932 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 6.3 m-80 -55.74 -39.2 70.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.881 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 21.9 mtm -72.48 -38.85 68.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -53.33 -43.47 67.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.013 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 38.1 t80 -56.63 -49.56 74.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.945 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -63.19 -36.21 82.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.849 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 24.1 t80 -59.95 -46.13 90.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.865 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 19.0 mt -67.45 -38.37 80.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.143 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 21.8 mt -69.87 -34.31 73.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.961 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -59.86 -26.79 66.13 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 179.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 39.1 m-80 -97.68 -40.6 8.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.88 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 77.8 t -71.61 -58.88 4.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.115 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 13.8 mm-40 -49.0 -29.39 4.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.944 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 6.1 t -71.23 -56.45 10.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.171 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . 0.404 HG13 HD13 ' A' ' 66' ' ' ILE . 5.8 p -64.79 -25.78 38.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.167 179.818 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -74.41 -38.61 63.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.929 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -67.27 -40.89 86.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.93 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 51.2 mt-30 -63.92 -14.97 57.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.929 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 57.1 m -95.93 -60.92 1.54 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.072 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -101.89 -42.74 6.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.917 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 111.59 -14.53 27.3 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.56 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.1 t -94.0 -176.09 3.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.938 0.399 . . . . 0.0 110.867 -179.752 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 71.8 p -152.34 -177.85 6.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.169 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 208' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.933 0.397 . . . . 0.0 110.853 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 209' ' ' PHE . . . . . . . . . . . . . 41.0 t80 -51.95 -45.48 64.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.856 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 210' ' ' PHE . . . . . . . . . . . . . 64.7 m-85 -59.75 -27.36 66.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.847 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 211' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -73.18 -44.37 59.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.899 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 212' ' ' LYS . . . . . . . . . . . . . 5.4 pttt -78.0 -18.24 56.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.866 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 213' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.64 -41.49 11.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.858 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 214' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.855 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--O 1.23 0.081 0 CA-C-O 120.802 0.251 . . . . 0.0 112.339 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -124.77 142.16 51.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.9 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.6 tp -102.18 113.39 26.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.915 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 55.87 26.73 10.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.148 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 95.03 13.04 54.37 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.54 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -104.92 118.58 36.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.823 0.344 . . . . 0.0 111.12 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 21.7 t -94.17 -44.27 13.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.077 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -66.47 139.88 57.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.893 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 44.4 t80 -57.72 -50.35 73.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.913 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -51.84 -37.53 52.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.792 -179.822 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -74.24 -29.43 61.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.911 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 94.3 t -71.68 -56.84 8.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.108 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 6.2 pttt -56.95 -31.49 65.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 54.8 m -67.09 -40.29 86.94 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.175 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 14.5 mt -69.38 -34.62 74.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 15.0 mt -72.19 -47.31 51.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.986 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 13.1 ttpt -52.66 -42.4 64.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 179.798 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -77.5 -41.94 37.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.879 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 39.1 t90 -63.37 -15.6 57.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.876 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 37.6 mt -101.47 -13.24 8.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.155 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 74.0 p -104.06 -55.76 2.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.144 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 13.4 t -66.01 -16.94 64.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.092 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.3 mt -127.97 127.55 68.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.135 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 37.5 m -106.95 -24.46 12.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.836 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -116.03 81.15 9.78 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.562 0.696 . . . . 0.0 110.864 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 147.27 62.7 Favored 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.747 2.298 . . . . 0.0 112.328 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 10.2 ttp -91.93 155.12 18.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.86 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -52.47 -39.7 61.44 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.898 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -66.36 -45.0 81.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.894 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -57.28 -49.1 77.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.888 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 50.1 mt -66.2 -30.79 51.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.078 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 8.9 mt -63.51 -40.73 97.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.851 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 7.5 mm-40 -54.3 -32.64 56.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.917 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 15.3 t -70.85 -34.88 57.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.076 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 95.4 t -65.39 -51.59 62.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.141 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 16.7 mmt180 -60.89 -25.25 66.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.819 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 67.5 t80 -75.62 -51.86 11.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 -179.769 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 62.2 m -68.62 -45.71 71.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.913 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 52.9 p -56.28 -25.55 48.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.177 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 46.6 m-20 -73.53 -37.64 65.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.862 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.6 mp -54.63 -32.98 59.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.892 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 3.0 mt -64.58 -43.66 96.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.108 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -74.23 -35.5 63.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.901 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 59.1 mm-40 -83.03 -8.77 59.51 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.926 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 27.0 mmtt 64.91 39.71 5.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.887 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -111.02 36.86 3.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.923 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 24.7 mt -53.82 -23.22 11.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.919 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -50.36 -48.84 55.55 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.871 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.9 mtpp -78.75 -22.59 46.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.907 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 24.3 tp -57.86 -57.46 12.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.864 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -57.33 -26.88 61.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.831 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 42.8 mt -76.96 -49.57 15.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.886 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 91.3 t -67.73 -36.13 74.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.111 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 30.2 mm -69.15 -53.89 23.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.17 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.425 ' HA ' ' HG2' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -63.83 -25.37 68.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.873 179.809 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 37.2 t80 -80.93 -43.38 19.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.875 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 14.1 ptp -74.35 -32.35 62.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.866 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.425 ' HG2' ' HA ' ' A' ' 79' ' ' LYS . 0.0 OUTLIER -71.13 -31.93 68.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.91 179.955 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 2.4 ptm180 -71.11 -29.03 64.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.868 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 15.4 mt -82.44 -54.92 4.82 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.925 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 29.4 mtt -55.65 -29.93 60.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.861 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 58.5 mt-30 -77.26 -55.18 5.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.948 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -64.73 -15.49 61.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.917 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 24.6 p -51.91 161.69 0.54 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.851 -179.751 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 2.3 m -83.71 -25.97 7.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.146 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -94.21 125.31 38.77 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.93 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 36.5 p -67.94 -24.42 65.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.855 -179.762 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 34.2 m -57.47 -22.85 18.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.097 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 7.6 m95 -72.43 -34.4 67.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -57.77 -38.03 74.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.931 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 18.5 mtm -72.63 -38.75 67.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.898 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -53.18 -38.71 63.07 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.109 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 25.9 t80 -64.56 -45.84 85.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.946 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 24.3 t0 -61.96 -36.53 81.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.942 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 33.1 t80 -56.38 -49.04 75.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.881 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 6.0 mt -62.7 -42.87 97.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.128 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 35.5 mt -66.53 -31.49 72.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.977 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -60.92 -31.34 70.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.943 179.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 8.2 m-80 -98.09 -32.67 11.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.858 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 83.8 t -77.11 -61.54 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.171 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 17.6 mm-40 -49.52 -29.94 7.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.886 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 3.8 t -71.22 -52.93 23.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.138 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 9.4 p -68.38 -26.02 32.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.091 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -73.65 -38.47 64.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -66.32 -41.1 90.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.944 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -64.31 -14.87 58.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.949 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 68.8 m -95.61 -59.52 1.85 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.183 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 11.7 m-85 -104.08 -42.86 5.42 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.909 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 111.5 -14.52 27.55 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.521 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 74.8 p -94.37 -174.22 3.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.911 0.386 . . . . 0.0 110.84 -179.664 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 66.5 p -152.7 -178.0 6.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.075 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.951 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 208' ' ' SER . . . . . . . . . . . . . 1.1 t . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.942 0.401 . . . . 0.0 110.85 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 209' ' ' PHE . . . . . . . . . . . . . 76.0 t80 -53.0 -37.7 61.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.85 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 210' ' ' PHE . . . . . . . . . . . . . 31.8 m-85 -67.54 -29.19 68.52 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.827 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 211' ' ' ASP . . . . . . . . . . . . . 29.7 m-20 -75.73 -43.5 46.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.879 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 212' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -77.47 -20.01 55.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.847 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 213' ' ' LYS . . . . . . . . . . . . . 11.5 tptt -86.38 -46.41 10.28 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.869 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 214' ' ' ARG . . . . . . . . . . . . . 26.1 ptt85 . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 -179.987 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--O 1.23 0.125 0 CA-C-O 120.755 0.231 . . . . 0.0 112.363 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -124.51 135.08 52.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.875 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 19.0 tp -105.39 108.9 20.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.93 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 58.82 28.7 17.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.12 179.79 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 95.13 4.66 61.17 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.472 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -100.68 115.91 31.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.794 0.33 . . . . 0.0 111.123 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 21.8 t -93.39 -38.04 9.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.14 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 67.7 mt-10 -71.76 141.35 49.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.892 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 35.3 t80 -56.12 -51.45 67.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.897 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 10.9 p -51.61 -37.4 49.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.843 -179.783 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 81.5 m-20 -74.01 -29.58 62.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.797 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 97.8 t -72.15 -56.24 10.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.165 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.7 ptmt -57.16 -34.16 68.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.879 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 53.1 m -65.53 -37.7 87.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.169 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 30.8 mt -70.52 -35.66 73.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.924 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.4 mt -71.91 -46.96 55.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 6.3 ttpt -52.94 -42.8 65.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.952 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 25.2 pt-20 -76.86 -42.31 40.53 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.942 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 34.9 t90 -63.53 -14.85 55.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.919 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 41.1 mt -102.24 -14.64 8.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.118 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 76.5 p -102.48 -56.24 2.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.132 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 12.8 t -65.6 -16.48 63.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.179 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.4 mt -128.18 130.31 69.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.102 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 9.0 m -106.61 -24.5 12.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.836 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -115.53 80.43 8.03 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.578 0.704 . . . . 0.0 110.899 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 139.93 41.45 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.678 2.252 . . . . 0.0 112.287 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 65.6 mtm -85.55 159.8 19.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.856 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -57.39 -59.92 4.42 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.902 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -51.84 -46.24 64.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.885 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -55.07 -38.81 68.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.855 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 20.1 mt -72.79 -49.93 36.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.147 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -49.79 -28.29 6.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.94 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 22.1 mt-30 -55.91 -36.92 68.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.866 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.1 m -73.27 -31.0 32.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.114 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 87.2 t -59.1 -52.1 64.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.172 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 23.2 mmm180 -58.34 -29.15 65.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.901 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 56.5 t80 -71.55 -54.82 9.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 44.1 m -65.0 -47.3 78.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.882 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 49.4 p -57.23 -26.41 60.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.157 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -73.34 -37.82 65.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.832 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.8 mp -54.34 -34.59 61.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.964 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.407 HG12 ' HB2' ' A' ' 108' ' ' LEU . 3.1 mt -62.53 -44.34 99.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.154 179.864 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 38.4 mm-40 -73.99 -35.11 64.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.93 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 60.3 mm-40 -82.87 -7.34 59.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.868 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 4.0 mmmm 63.95 38.5 8.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.909 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -111.29 37.19 2.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.873 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 22.1 mt -53.96 -23.39 12.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.933 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -50.34 -46.18 55.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.936 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 14.0 mtpt -79.0 -22.86 44.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.921 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 23.4 tp -57.36 -61.91 2.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -54.21 -26.76 30.19 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.874 179.794 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 53.7 mt -76.66 -45.95 27.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.983 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 86.5 t -69.8 -38.98 77.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.071 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 34.8 mm -63.92 -57.47 11.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.187 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.68 -32.26 71.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.882 179.805 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 57.5 t80 -68.43 -53.46 23.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.949 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 11.4 ptp -65.77 -27.38 68.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.76 -57.61 11.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.88 -27.18 28.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.856 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 26.7 mt -80.99 -54.72 5.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.982 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 27.7 mtt -60.83 -29.13 69.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.842 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 21.3 mm-40 -78.22 -50.67 11.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.871 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -67.47 -15.12 63.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.904 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 37.3 p -51.94 152.65 2.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.826 -179.755 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 2.6 m -76.71 -26.02 16.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.123 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 32.3 mm-40 -98.94 131.68 44.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 2.2 t -71.77 -18.92 62.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.875 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 13.7 p -56.4 -24.4 18.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.133 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 46.8 m95 -71.94 -34.28 68.91 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.901 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -59.62 -37.09 77.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.858 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 15.1 mtm -72.33 -39.84 67.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.861 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -53.84 -44.29 70.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.076 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 45.2 t80 -55.25 -55.06 35.69 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 19.5 t0 -57.3 -41.33 79.64 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.856 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 52.3 t80 -54.61 -47.97 72.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.895 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 11.2 mt -62.81 -46.13 97.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.158 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 34.8 mt -62.22 -27.57 69.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.879 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.28 -30.39 71.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.851 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -97.41 -33.03 11.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.852 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 79.1 t -77.03 -60.55 2.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.154 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 17.0 mm-40 -49.55 -29.9 7.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.907 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 4.6 t -71.01 -54.43 17.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.182 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 7.4 p -66.91 -25.91 35.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.173 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.407 ' HB2' HG12 ' A' ' 66' ' ' ILE . 0.1 OUTLIER -73.9 -39.07 64.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.968 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 16.5 mt-30 -66.09 -41.31 90.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.909 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -63.9 -15.11 58.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.93 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 59.8 m -95.53 -60.67 1.61 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.165 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 -102.35 -42.86 5.86 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 111.59 -14.61 27.29 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.528 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 49.3 m -94.79 -173.73 3.08 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.883 0.373 . . . . 0.0 110.879 -179.704 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 67.3 p -152.6 176.55 11.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.127 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.901 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 208' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.911 0.386 . . . . 0.0 110.787 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 209' ' ' PHE . . . . . . . . . . . . . 74.8 t80 -54.99 -45.04 75.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.873 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 210' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -63.24 -28.61 70.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.857 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 211' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -71.64 -46.95 57.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.851 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 212' ' ' LYS . . . . . . . . . . . . . 10.4 ptmm? -71.58 -23.77 61.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.929 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 213' ' ' LYS . . . . . . . . . . . . . 4.9 tppt? -82.47 -45.21 15.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.918 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 214' ' ' ARG . . . . . . . . . . . . . 4.7 ptm180 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.826 179.975 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 N--CA 1.465 -0.151 0 CA-C-O 120.766 0.236 . . . . 0.0 112.378 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -125.17 143.44 50.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.893 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 12.7 tp -104.33 111.95 24.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.925 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 54.76 28.52 10.34 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.061 179.754 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 95.12 12.99 54.22 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.758 -0.735 . . . . 0.0 112.563 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -105.86 115.76 30.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.843 0.354 . . . . 0.0 111.05 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 30.2 t -91.88 -45.71 14.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.145 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -68.44 146.03 53.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.936 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 37.3 t80 -59.5 -50.56 73.45 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.86 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 4.9 m -51.69 -37.81 52.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.836 -179.77 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 30.4 m-20 -72.64 -29.71 63.68 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.877 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 46.7 t -71.97 -57.1 8.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.16 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 4.0 ptmt -56.16 -33.69 65.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.939 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 54.1 m -63.84 -40.94 97.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.152 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 14.3 mt -70.45 -34.0 71.95 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.956 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 15.4 mt -72.18 -46.84 54.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.896 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 8.6 ttpt -52.68 -42.69 64.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.971 179.751 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -77.39 -41.63 39.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.884 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 36.9 t90 -63.45 -15.37 57.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.934 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 35.9 mt -101.87 -13.97 8.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.183 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 70.3 p -103.15 -56.1 2.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.185 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 13.2 t -65.1 -16.17 63.19 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.122 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.2 mt -127.42 130.69 70.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.093 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -107.2 -29.86 9.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.866 -179.881 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -112.69 81.36 4.26 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.617 0.722 . . . . 0.0 110.889 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 134.88 28.99 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.74 2.293 . . . . 0.0 112.335 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 20.0 mtp -82.07 150.64 27.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.844 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -52.35 -34.7 48.67 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -66.59 -50.06 64.3 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.874 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -58.01 -46.62 84.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.88 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 57.5 mt -63.87 -31.98 55.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.08 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.0 mt -63.08 -38.56 91.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.907 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 5.3 mm100 -54.02 -31.61 51.72 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.949 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 12.9 t -71.88 -35.26 54.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.121 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 88.2 t -65.58 -52.55 49.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.165 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 21.2 mmt85 -59.08 -25.63 63.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.904 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 75.0 t80 -75.45 -52.15 11.37 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.909 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 63.6 m -67.06 -45.99 75.69 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.824 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 35.3 p -53.3 -28.25 27.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.158 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 35.4 m-20 -73.85 -38.24 64.54 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.884 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -54.21 -31.82 54.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.414 HD12 HG13 ' A' ' 107' ' ' VAL . 5.8 mt -66.32 -47.85 82.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.128 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -73.2 -29.27 62.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.893 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 37.7 mm-40 -86.88 -10.47 53.31 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.856 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 5.8 mmtm 64.31 42.7 5.15 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.852 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -114.57 36.41 3.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.919 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 22.5 mt -57.15 -18.41 15.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.925 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 47.1 tt0 -49.9 -54.32 20.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.915 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.83 -22.14 46.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.907 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 35.0 tp -55.19 -59.02 5.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.882 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -55.44 -28.3 53.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.885 179.829 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 40.5 mt -76.4 -44.77 34.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.904 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 86.9 t -70.19 -33.93 56.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.064 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 31.2 mm -69.82 -54.54 18.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.113 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.428 ' HA ' ' HG2' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -63.89 -25.0 67.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.86 179.866 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 37.3 t80 -80.72 -43.52 20.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.911 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 13.4 ptp -74.67 -31.74 62.02 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.869 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.428 ' HG2' ' HA ' ' A' ' 79' ' ' LYS . 0.0 OUTLIER -71.47 -32.06 67.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.903 179.935 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 2.4 ptm180 -71.19 -29.73 65.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.822 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 18.5 mt -82.31 -51.59 7.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 34.9 mtt -59.1 -27.29 65.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.856 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 51.7 mt-30 -78.5 -48.31 15.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.943 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -73.53 -13.54 61.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.966 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 6.9 m -51.9 152.65 2.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.838 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 3.3 p -71.16 -32.78 48.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.104 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 45.1 mp0 -86.14 130.99 34.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.918 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 32.4 t -71.64 -27.7 63.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.874 -179.79 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 25.5 m -56.52 -29.48 29.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.124 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 11.6 m95 -59.88 -33.8 72.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.938 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 12.8 m-80 -58.56 -39.17 79.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.922 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 28.8 mtm -72.5 -36.89 68.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.875 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -53.09 -43.93 67.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.082 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 23.0 t80 -60.34 -42.3 95.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.865 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -67.59 -34.6 77.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.888 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 31.7 t80 -58.27 -42.75 87.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.809 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 6.2 mt -70.83 -39.75 75.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.15 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 22.9 mt -67.37 -35.69 79.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.841 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -60.03 -27.35 66.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.848 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 7.1 m-80 -98.33 -38.63 9.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 84.3 t -73.8 -59.51 3.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.134 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 13.6 mm-40 -48.92 -29.07 4.31 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.925 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 4.1 t -70.38 -56.99 9.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.179 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . 0.414 HG13 HD12 ' A' ' 66' ' ' ILE . 5.0 p -64.64 -25.58 38.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.125 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -74.05 -39.17 63.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.876 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 21.6 mt-30 -66.03 -41.32 91.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.955 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 43.9 mt-30 -63.66 -15.4 58.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.931 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 64.6 m -95.73 -59.76 1.79 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.19 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -103.34 -43.14 5.51 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.884 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 110.69 -14.42 29.62 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.522 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 89.7 p -95.31 -172.85 2.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.952 0.406 . . . . 0.0 110.901 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 72.4 p -152.29 -178.1 6.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.182 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.941 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 208' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.877 0.37 . . . . 0.0 110.916 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 209' ' ' PHE . . . . . . . . . . . . . 74.8 t80 -76.06 -38.8 56.66 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 210' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 -66.28 -25.89 67.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.931 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 211' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -72.56 -44.94 61.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.859 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 212' ' ' LYS . . . . . . . . . . . . . 8.0 ptpp? -71.55 -25.0 62.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 213' ' ' LYS . . . . . . . . . . . . . 15.2 tppt? -79.74 -50.37 10.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.924 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 214' ' ' ARG . . . . . . . . . . . . . 21.8 ptt180 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.89 179.955 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo . . . . . 0 C--O 1.231 0.142 0 CA-C-O 120.728 0.22 . . . . 0.0 112.341 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -125.94 144.24 50.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.869 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 15.4 tp -106.23 114.53 28.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.925 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 56.68 27.4 12.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.088 179.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 92.91 13.03 57.16 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.509 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -104.93 119.71 39.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.826 0.346 . . . . 0.0 111.058 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 28.1 t -93.57 -41.75 12.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.092 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 55.7 mm-40 -69.58 145.64 52.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.879 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 42.8 t80 -61.15 -50.67 72.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.866 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.7 m -51.79 -37.51 51.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.831 -179.741 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -72.59 -29.45 63.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 96.7 t -72.54 -57.2 7.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.087 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.9 ptmt -56.12 -35.34 66.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.882 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 55.4 m -62.94 -38.99 93.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.091 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 7.7 mt -70.45 -35.95 73.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.937 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 11.9 mt -71.99 -45.99 58.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.935 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -52.65 -42.89 65.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.923 179.817 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -77.26 -41.96 38.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.904 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 35.3 t90 -63.06 -15.72 57.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.949 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 39.2 mt -101.48 -14.21 8.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.091 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 70.3 p -102.98 -55.91 2.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.176 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 13.2 t -64.78 -16.91 63.68 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.13 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.2 mt -126.65 132.43 70.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.181 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 11.2 p -107.48 -32.92 7.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -110.86 81.59 2.65 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.614 0.721 . . . . 0.0 110.877 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.73 143.84 52.26 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.647 2.231 . . . . 0.0 112.339 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 63.8 mtm -92.01 156.19 17.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.87 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -52.09 -38.26 56.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.871 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 31.9 mm-40 -66.91 -45.8 76.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.869 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -57.53 -46.17 84.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 28.3 mt -72.39 -40.53 64.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.122 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.5 mt -54.78 -39.09 68.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 4.2 mm100 -54.05 -30.59 48.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.989 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 10.7 t -73.21 -35.04 46.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.151 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 92.4 t -62.04 -51.17 75.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.155 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 14.0 mmm180 -59.02 -26.79 64.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.861 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 61.5 t80 -75.5 -53.58 8.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.922 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 55.5 m -65.22 -43.61 90.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.882 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 37.0 p -57.26 -28.32 62.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.137 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 54.5 m-20 -74.14 -36.6 64.16 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.816 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.4 mp -54.0 -33.29 56.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.911 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 5.8 mt -64.68 -45.84 94.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.143 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 49.7 mm-40 -73.81 -34.29 64.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.89 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -82.63 -9.28 59.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.9 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 55.4 mmtt 64.02 41.5 6.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.909 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -112.95 35.52 3.88 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.875 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 37.8 mt -54.21 -23.05 13.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.91 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -50.26 -49.1 54.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 3.4 mtpt -78.73 -22.44 46.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 26.9 tp -58.71 -56.45 22.07 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.93 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 12.9 t0 -58.17 -28.38 64.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.798 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 26.8 mt -76.83 -43.74 35.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.948 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 89.8 t -71.03 -39.3 74.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.121 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 32.2 mm -66.12 -52.73 44.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.127 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.416 ' HA ' ' HG2' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -64.41 -25.49 68.04 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.911 179.827 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 42.4 t80 -80.99 -43.26 19.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.905 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 15.1 ptp -74.2 -32.84 63.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.899 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.416 ' HG2' ' HA ' ' A' ' 79' ' ' LYS . 0.0 OUTLIER -70.57 -32.12 69.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.915 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 2.2 ptm180 -71.08 -29.32 65.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.82 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 17.4 mt -82.48 -53.7 5.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.941 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 25.8 mtt -57.28 -27.93 62.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.815 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 60.8 mt-30 -78.72 -50.42 11.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.849 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -70.71 -10.57 59.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.957 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 5.2 m -54.96 175.83 0.05 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 2.9 p -98.5 -31.81 3.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.137 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 37.1 mp0 -85.33 131.07 34.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.874 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.6 p -70.46 -25.87 63.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.834 -179.768 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 10.0 p -58.11 -23.79 22.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.134 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 16.8 m95 -68.91 -35.14 76.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.976 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -57.77 -41.21 81.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.924 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 16.3 mtm -72.61 -36.5 68.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.889 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -53.19 -45.01 68.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.104 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 22.9 t80 -59.95 -41.63 92.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.922 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -68.13 -34.56 76.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.85 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 33.6 t80 -58.47 -46.42 86.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.847 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 5.8 mt -67.08 -41.02 86.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.112 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 20.3 mt -66.31 -36.6 83.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.896 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -59.28 -25.81 64.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -98.78 -41.24 7.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.871 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 82.3 t -72.49 -59.18 3.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.183 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 15.4 mm-40 -48.76 -29.0 4.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.951 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 4.2 t -71.34 -55.39 13.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.137 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 5.2 p -66.42 -26.71 38.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.103 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -74.33 -39.0 63.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.88 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -67.32 -41.0 85.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.927 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -64.53 -14.47 57.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.904 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 76.7 m -95.56 -60.66 1.61 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.108 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 -103.31 -42.5 5.71 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.9 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 111.54 -14.56 27.41 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.421 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.1 t -93.06 -172.73 3.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.963 0.411 . . . . 0.0 110.902 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 71.9 p -152.86 -177.75 6.47 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.112 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.928 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 208' ' ' SER . . . . . . . . . . . . . 1.4 p . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.862 0.363 . . . . 0.0 110.851 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 209' ' ' PHE . . . . . . . . . . . . . 70.7 t80 -79.56 -51.48 9.24 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 210' ' ' PHE . . . . . . . . . . . . . 73.5 m-85 -56.32 -25.1 47.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.904 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 211' ' ' ASP . . . . . . . . . . . . . 37.7 m-20 -74.44 -46.48 39.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.84 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 212' ' ' LYS . . . . . . . . . . . . . 16.6 ptpt -77.74 -18.36 56.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 213' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -83.95 -39.22 20.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.889 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 214' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--O 1.231 0.152 0 CA-C-O 120.791 0.246 . . . . 0.0 112.369 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -125.52 150.17 47.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.84 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.2 tp -104.49 111.87 24.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.959 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 55.03 28.95 11.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.135 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 94.59 13.0 55.13 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.505 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -104.0 113.31 26.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.876 0.369 . . . . 0.0 111.111 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 41.7 t -87.86 -46.53 15.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.156 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -67.89 148.03 51.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.829 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 46.4 t80 -62.36 -49.82 74.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.898 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 6.0 p -51.29 -38.08 50.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.91 -179.8 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -72.6 -30.13 64.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.861 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 92.5 t -73.39 -56.52 9.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.166 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.8 ptmt -56.76 -34.01 67.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.907 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 45.9 m -65.75 -38.31 88.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.112 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 15.6 mt -70.26 -35.99 74.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.909 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.9 mt -72.07 -45.9 58.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.887 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 4.2 ttpt -52.4 -43.05 64.53 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.877 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 25.5 pt-20 -77.14 -41.59 41.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.845 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 39.0 t90 -63.61 -15.24 57.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.946 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 37.2 mt -101.9 -13.51 8.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.131 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 69.2 p -103.71 -55.8 2.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.134 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 13.1 t -66.13 -16.51 64.02 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.153 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.4 mt -128.16 126.16 65.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.128 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -106.65 -26.25 11.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.794 -179.842 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -112.44 78.03 2.49 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.57 0.7 . . . . 0.0 110.946 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.68 150.82 69.18 Favored 'Trans proline' 0 C--O 1.231 0.137 0 C-N-CA 122.737 2.291 . . . . 0.0 112.316 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 31.1 mtp -98.59 159.36 15.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.88 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -55.57 -40.71 72.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.814 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 21.1 tp10 -64.28 -48.34 76.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.961 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -55.6 -49.78 71.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.926 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 53.9 mt -67.25 -31.53 53.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.132 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.6 mt -63.74 -37.7 88.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.991 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 4.7 mm-40 -54.59 -32.74 59.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.96 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 13.8 t -71.15 -34.96 56.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.105 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 96.8 t -63.36 -50.8 77.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.191 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 32.6 mmm-85 -59.53 -27.23 66.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.803 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 57.6 t80 -75.29 -53.76 8.22 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.897 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 38.9 m -64.79 -43.41 93.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.907 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 38.2 p -57.73 -28.71 64.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.092 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 31.1 m-20 -73.74 -36.73 65.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.4 mp -54.24 -33.68 58.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.912 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 5.3 mt -63.35 -48.63 86.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.188 179.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -73.56 -32.2 64.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.884 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -82.69 -9.13 59.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.827 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 3.1 mmmt 63.36 41.18 7.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.881 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -113.71 35.39 4.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 179.793 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 33.2 mt -53.99 -23.29 12.77 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.885 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -50.46 -49.43 55.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.8 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 2.1 mtpt -78.63 -22.64 46.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 27.3 tp -58.96 -59.46 5.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.936 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -56.87 -26.99 59.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.901 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 38.8 mt -76.97 -44.39 31.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.96 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 89.5 t -71.9 -36.88 59.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.202 179.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 31.9 mm -66.67 -53.31 36.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.184 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.434 ' HA ' ' HG2' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -64.45 -25.06 67.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.861 179.839 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 41.6 t80 -81.13 -44.09 18.43 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.991 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 13.2 ptp -73.9 -32.93 63.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.854 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.434 ' HG2' ' HA ' ' A' ' 79' ' ' LYS . 0.0 OUTLIER -70.13 -31.87 69.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.838 179.917 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 3.5 ptm180 -71.37 -29.72 65.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.877 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 14.3 mt -82.1 -56.46 3.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.913 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 34.8 mtt -54.34 -27.35 35.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.859 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 55.8 mt-30 -79.63 -41.03 27.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.994 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -88.68 9.85 22.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.912 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 96.2 p -68.26 -178.11 1.01 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.874 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 3.1 p -98.76 -31.5 3.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.132 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 50.8 mm-40 -96.7 119.15 34.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.897 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -56.32 -25.71 49.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 -179.805 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 12.4 p -55.33 -30.79 25.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.165 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 5.8 m95 -62.71 -37.03 84.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.955 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 11.1 m120 -55.69 -41.11 73.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.899 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 20.2 mtm -72.36 -35.22 68.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.867 179.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -54.54 -40.79 69.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.143 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 25.3 t80 -61.46 -48.65 80.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.864 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 37.2 t0 -60.57 -37.83 82.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.935 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 21.0 t80 -55.57 -44.83 77.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.832 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 9.3 mt -66.67 -47.94 81.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.051 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 28.9 mt -59.79 -37.61 79.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.919 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -58.15 -25.46 61.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 179.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 6.9 m-80 -98.73 -42.4 7.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.919 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 79.3 t -71.58 -59.0 3.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.135 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 17.6 mm-40 -48.78 -28.82 3.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.933 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 4.8 t -72.09 -54.28 17.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.119 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 5.4 p -67.06 -26.16 35.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.103 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -74.03 -38.4 64.04 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.844 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 18.1 mt-30 -67.15 -41.14 86.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 -63.98 -14.93 57.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 60.5 m -95.77 -60.59 1.61 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.152 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 12.1 m-85 -102.12 -42.93 5.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.027 0.442 . . . . 0.0 110.949 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 111.59 -14.38 27.34 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.43 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -95.03 -174.0 3.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.943 0.402 . . . . 0.0 110.86 -179.734 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 74.9 p -152.56 -177.79 6.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.109 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 208' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.871 0.367 . . . . 0.0 110.88 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 209' ' ' PHE . . . . . . . . . . . . . 70.8 t80 -82.28 -39.27 23.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.905 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 210' ' ' PHE . . . . . . . . . . . . . 30.3 m-85 -65.65 -26.69 67.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.875 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 211' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -76.64 -42.91 40.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 212' ' ' LYS . . . . . . . . . . . . . 7.3 ptmt -76.74 -24.64 53.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 213' ' ' LYS . . . . . . . . . . . . . 2.4 tppt? -82.89 -49.86 9.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.869 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 214' ' ' ARG . . . . . . . . . . . . . 52.2 ptt85 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.865 179.959 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo . . . . . 0 N--CA 1.466 -0.146 0 CA-C-O 120.723 0.218 . . . . 0.0 112.337 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -125.17 151.43 45.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.845 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 8.9 tp -107.23 114.14 27.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.925 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 54.54 27.79 8.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.182 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 94.95 13.08 54.38 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.521 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -103.86 113.16 26.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.819 0.343 . . . . 0.0 111.14 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 21.7 t -90.79 -37.04 8.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.101 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -72.06 143.5 49.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.931 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 43.9 t80 -61.52 -51.17 69.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.835 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 52.2 p -52.28 -36.96 54.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -73.49 -29.5 62.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.83 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 91.5 t -72.15 -56.42 10.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.191 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 4.8 ptmt -57.19 -31.99 66.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.854 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 54.3 m -67.04 -40.03 87.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.165 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 8.9 mt -69.62 -35.13 74.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 14.2 mt -71.95 -46.97 55.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.936 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 9.5 ttpt -52.1 -42.76 63.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.937 179.781 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -77.32 -41.96 38.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.883 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 39.1 t90 -63.8 -15.25 58.28 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.865 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 33.4 mt -101.89 -12.78 8.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.121 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 76.0 p -104.32 -55.8 2.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.131 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 13.3 t -66.4 -15.72 63.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.175 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.4 mt -128.94 128.07 66.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.146 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -106.94 -25.16 11.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.794 -179.882 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -116.97 82.03 12.99 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-O 121.573 0.701 . . . . 0.0 110.826 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 148.59 65.56 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.626 2.217 . . . . 0.0 112.368 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 23.2 ttm -90.38 152.6 20.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.834 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -52.78 -34.13 51.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.835 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -71.52 -47.78 53.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.889 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -55.43 -47.67 75.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.836 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 51.2 mt -65.54 -31.64 54.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.123 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.4 mt -62.71 -38.98 92.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.933 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 8.0 mm-40 -54.52 -32.36 57.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.853 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 17.2 t -71.3 -34.62 54.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.135 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 96.1 t -65.63 -51.18 65.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.156 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 23.2 mmt85 -60.42 -26.0 66.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 61.1 t80 -75.26 -52.17 11.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.915 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 66.1 m -67.84 -45.51 74.44 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.866 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 46.4 p -56.35 -26.78 53.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.134 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 60.6 m-20 -73.45 -37.81 65.71 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.826 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.6 mp -54.48 -33.02 58.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.911 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 3.2 mt -64.21 -44.78 97.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.114 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -73.88 -35.24 64.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.941 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 35.0 mm-40 -82.49 -9.01 59.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.904 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 27.4 mmtt 64.6 40.58 5.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.886 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -112.65 36.53 3.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.916 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 33.5 mt -54.15 -22.99 12.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.91 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 -50.37 -48.46 55.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.829 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.4 mtpm? -78.74 -22.39 46.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.833 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 25.2 tp -59.91 -50.54 73.36 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.913 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -62.61 -29.26 70.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.875 179.815 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 21.3 mt -76.85 -45.26 29.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.829 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 99.3 t -70.21 -42.29 78.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.138 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 27.1 mm -64.17 -52.36 57.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.109 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.426 ' HA ' ' HG2' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -64.3 -25.31 67.99 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.863 179.852 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 38.2 t80 -80.64 -43.42 20.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.929 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 14.5 ptp -74.38 -32.79 62.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.891 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.426 ' HG2' ' HA ' ' A' ' 79' ' ' LYS . 0.0 OUTLIER -70.51 -31.99 69.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.922 179.936 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 1.6 ptm180 -71.2 -29.52 65.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.848 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 19.1 mt -82.51 -55.33 4.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.851 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 29.6 mtt -55.25 -26.25 38.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.842 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 57.7 mt-30 -81.27 -55.07 4.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.877 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -65.41 -14.7 61.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.904 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 2.1 m -51.95 164.76 0.24 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.81 -179.702 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 2.4 m -85.35 -26.28 6.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.065 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -94.68 128.44 41.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 53.8 p -70.56 -25.71 63.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.842 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 29.2 m -55.02 -26.14 17.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.109 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 9.2 m95 -68.3 -35.45 77.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.935 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 12.5 m-80 -56.17 -38.7 71.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.895 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 19.6 mtm -72.42 -39.26 68.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -53.18 -38.92 63.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.072 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 24.8 t80 -64.4 -48.64 74.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.848 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 39.3 t0 -60.42 -34.08 73.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.872 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 37.6 t80 -58.61 -48.74 79.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.908 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 5.7 mt -63.6 -39.02 83.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.162 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 26.8 mt -69.71 -33.86 73.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -59.52 -29.32 67.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.86 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 20.2 m-80 -97.99 -37.74 9.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.89 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 82.1 t -73.43 -60.64 2.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.14 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 18.5 mm-40 -49.22 -29.47 5.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.85 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 3.3 t -70.58 -53.2 23.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.065 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 7.5 p -68.7 -24.98 29.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.096 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -74.16 -38.81 63.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.939 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 -66.17 -41.02 90.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.921 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -64.46 -14.85 59.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 73.6 m -95.63 -59.35 1.89 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.094 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 11.9 m-85 -104.44 -42.87 5.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.892 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 111.15 -14.3 28.45 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.426 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.2 t -95.14 -173.24 2.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.933 0.397 . . . . 0.0 110.827 -179.698 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 67.4 p -152.48 -177.91 6.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.115 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.912 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 208' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.953 0.406 . . . . 0.0 110.86 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 209' ' ' PHE . . . . . . . . . . . . . 76.9 t80 -69.01 -44.14 73.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.885 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 210' ' ' PHE . . . . . . . . . . . . . 28.8 m-85 -61.73 -25.44 67.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.904 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 211' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -73.25 -46.77 48.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.845 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 212' ' ' LYS . . . . . . . . . . . . . 7.7 ptpp? -71.08 -23.95 62.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.931 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 213' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -82.29 -49.43 10.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 214' ' ' ARG . . . . . . . . . . . . . 41.8 ptt85 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.907 179.997 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo . . . . . 0 N--CA 1.465 -0.191 0 CA-C-O 120.805 0.252 . . . . 0.0 112.292 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -125.97 147.57 49.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.835 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 10.4 tp -108.23 115.95 31.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.876 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 56.37 29.83 15.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.13 179.766 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 89.37 13.15 62.05 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.493 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -104.92 119.39 38.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.853 0.359 . . . . 0.0 111.052 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 21.8 t -93.74 -36.92 7.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.109 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 33.2 mm-40 -72.82 146.27 46.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.916 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 42.1 t80 -62.85 -51.02 68.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.857 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 12.2 p -51.72 -37.58 51.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.872 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -73.26 -29.41 62.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.879 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 88.8 t -72.36 -57.23 7.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.123 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.2 ptmt -56.62 -34.85 67.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 55.5 m -64.98 -36.87 85.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.16 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 12.9 mt -70.52 -36.62 73.85 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.932 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 13.8 mt -72.26 -46.18 57.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.909 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -52.05 -43.0 63.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.899 179.805 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -77.17 -41.78 40.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.927 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 34.7 t90 -63.85 -15.26 58.46 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.885 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 35.3 mt -102.23 -11.9 8.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.161 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 77.4 p -105.58 -55.98 2.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.137 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 12.6 t -66.9 -16.85 64.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.12 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.4 mt -128.05 127.58 67.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.139 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.8 m -106.81 -26.39 11.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.853 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -113.85 80.98 5.53 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.623 0.725 . . . . 0.0 110.884 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.83 147.93 63.53 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.652 2.235 . . . . 0.0 112.404 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 11.6 ttp -95.48 167.51 11.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.901 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.43 -58.1 9.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.923 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -51.72 -31.33 25.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -69.94 -49.89 47.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.896 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 63.4 mt -66.22 -42.76 91.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.145 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -51.84 -40.07 59.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 8.9 mm-40 -54.04 -32.18 53.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.875 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 12.0 t -72.98 -34.7 46.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.095 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 91.3 t -67.7 -52.45 40.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.156 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 40.8 mmm-85 -58.64 -25.8 63.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.913 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 69.9 t80 -75.46 -52.08 11.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.956 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 56.9 m -67.3 -46.1 74.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.892 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 34.8 p -53.51 -28.44 31.16 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.218 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 43.2 m-20 -73.71 -38.02 64.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.894 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -54.31 -32.78 57.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.891 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.411 HD11 HG13 ' A' ' 107' ' ' VAL . 6.0 mt -65.46 -48.59 82.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.117 179.859 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -73.39 -28.38 61.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -86.96 -10.07 54.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 3.9 mmmm 63.99 42.96 5.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.922 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -115.64 35.72 4.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.853 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 21.4 mt -58.01 -17.25 16.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.96 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -50.15 -54.9 17.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.911 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.92 -22.2 46.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.923 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 37.0 tp -53.59 -52.79 58.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.932 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.44 -27.77 68.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.862 179.855 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 42.3 mt -76.68 -44.01 35.49 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.928 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 86.4 t -70.43 -40.55 77.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.149 179.793 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 29.6 mm -64.96 -53.07 45.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.174 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.423 ' HA ' ' HG2' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -64.36 -25.16 67.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.912 179.819 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 42.3 t80 -80.92 -43.42 19.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 12.6 ptp -74.58 -31.88 62.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.853 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.423 ' HG2' ' HA ' ' A' ' 79' ' ' LYS . 0.0 OUTLIER -71.32 -32.2 68.31 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.872 179.956 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 2.3 ptm180 -71.52 -28.69 64.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.867 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 16.1 mt -82.67 -55.36 4.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 26.0 mtt -55.87 -25.98 44.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.933 179.804 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 51.3 mt-30 -80.85 -42.43 21.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.977 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -85.52 4.59 35.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.86 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 98.6 p -64.76 -177.41 0.33 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.858 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 2.9 p -100.12 -31.28 3.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.163 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -91.71 135.68 33.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.952 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 2.7 t -71.73 -23.72 61.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 -179.767 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 10.6 p -60.68 -28.93 43.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.153 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 4.6 m95 -64.05 -37.1 86.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.912 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -57.82 -41.99 83.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.899 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 17.6 mtm -72.65 -35.1 67.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.897 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -53.35 -44.92 68.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.095 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 23.5 t80 -59.38 -44.98 92.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.884 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 42.2 t0 -62.46 -39.01 92.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 24.9 t80 -55.61 -48.75 74.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.896 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 9.2 mt -62.5 -40.3 87.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.171 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 23.0 mt -67.78 -35.44 78.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.917 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -60.08 -27.31 66.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 179.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 5.2 m-80 -98.44 -38.21 9.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.894 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 83.5 t -74.34 -59.32 3.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.078 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 13.4 mm-40 -48.96 -28.95 4.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.85 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 4.6 t -70.55 -56.98 9.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.116 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . 0.411 HG13 HD11 ' A' ' 66' ' ' ILE . 5.0 p -64.62 -25.63 38.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.108 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -74.04 -39.11 63.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.917 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 17.3 mt-30 -66.32 -41.22 89.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.942 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 -63.42 -15.58 58.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.93 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 55.5 m -95.68 -60.64 1.61 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.075 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -102.42 -43.06 5.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.957 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 111.01 -14.52 28.74 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.527 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -94.46 -174.27 3.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.004 0.43 . . . . 0.0 110.883 -179.754 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 68.0 p -152.49 -178.21 6.7 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.138 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.895 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 208' ' ' SER . . . . . . . . . . . . . 34.3 p . . . . . 0 N--CA 1.457 -0.079 0 CA-C-O 120.939 0.4 . . . . 0.0 110.857 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 209' ' ' PHE . . . . . . . . . . . . . 80.1 t80 -82.58 -46.81 12.87 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.869 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 210' ' ' PHE . . . . . . . . . . . . . 67.8 m-85 -62.41 -24.68 67.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.863 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 211' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -76.23 -43.02 44.04 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.868 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 212' ' ' LYS . . . . . . . . . . . . . 19.3 ptpt -77.34 -23.91 50.82 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 213' ' ' LYS . . . . . . . . . . . . . 8.3 tmtt? -83.38 -44.57 14.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.884 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 214' ' ' ARG . . . . . . . . . . . . . 13.4 ptp180 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.865 179.971 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo . . . . . 0 N--CA 1.466 -0.106 0 CA-C-O 120.745 0.227 . . . . 0.0 112.426 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -126.16 135.32 51.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.921 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 12.5 tp -102.78 113.51 26.98 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.941 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 56.81 27.65 13.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.042 179.805 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 92.36 13.03 57.85 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.487 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -106.83 118.74 37.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.814 0.34 . . . . 0.0 111.065 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 22.0 t -95.38 -38.35 8.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.153 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -72.22 143.48 48.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.933 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 43.3 t80 -58.53 -51.33 70.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.868 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.49 -37.47 49.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.837 -179.76 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -75.61 -29.72 59.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.922 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 99.0 t -73.54 -49.43 36.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.088 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 6.3 pttt -63.48 -30.43 71.55 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 54.9 m -67.48 -39.99 85.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.224 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 15.1 mt -67.14 -37.53 83.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.925 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 8.7 mt -71.87 -45.06 62.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 9.0 ttpt -52.94 -44.54 67.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 23.1 pt-20 -77.26 -39.75 47.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.862 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 28.6 t90 -64.06 -14.87 57.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.893 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 33.6 mt -103.36 -11.69 9.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.144 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 81.2 p -105.09 -55.75 2.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.229 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 12.7 t -68.7 -11.6 60.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.151 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.2 mt -133.36 128.69 55.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.058 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -107.03 -25.59 11.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.865 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -114.35 81.71 6.88 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.671 0.748 . . . . 0.0 110.901 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 148.04 64.27 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.685 2.257 . . . . 0.0 112.369 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 7.1 ttp -93.59 148.02 22.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.868 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -52.46 -52.27 55.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.889 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -51.78 -51.48 56.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -56.68 -34.09 67.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.863 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 20.0 mt -71.62 -41.68 71.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.17 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -51.97 -38.21 55.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.884 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 3.0 mm-40 -56.36 -32.19 64.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.885 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 13.0 t -71.58 -34.67 53.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.175 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 88.4 t -67.35 -51.22 54.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.101 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 26.3 mmt180 -60.15 -26.31 66.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 59.3 t80 -74.87 -52.95 9.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.916 -179.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 57.4 m -66.88 -45.76 77.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.937 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 43.7 p -55.94 -26.01 45.95 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.165 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 30.8 m-20 -73.54 -37.99 65.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.854 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.3 mp -54.74 -36.06 64.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.878 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.425 HG12 ' HB2' ' A' ' 108' ' ' LEU . 3.6 mt -61.66 -45.73 98.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.115 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -74.12 -34.13 63.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.897 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 68.4 mm-40 -82.58 -7.31 59.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.894 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 6.6 mmmt 63.55 39.94 8.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.893 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 35.7 m-20 -112.79 36.66 3.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.934 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 33.9 mt -54.01 -23.04 12.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.867 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -50.21 -49.27 53.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.889 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.3 mtpp -78.79 -22.87 45.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 22.0 tp -60.81 -62.05 2.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.936 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -53.31 -28.68 29.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.851 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 27.1 mt -76.66 -44.96 31.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.917 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 87.7 t -69.93 -33.43 55.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.125 179.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 31.9 mm -70.22 -55.43 14.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.126 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.421 ' HA ' ' HG2' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -62.58 -25.19 67.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.933 179.828 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 52.9 t80 -79.32 -44.28 21.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.874 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 15.2 ptp -74.42 -32.1 62.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.923 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.421 ' HG2' ' HA ' ' A' ' 79' ' ' LYS . 0.0 OUTLIER -70.19 -31.67 69.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 179.926 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 1.6 ptm180 -73.04 -29.8 63.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.905 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 17.0 mt -82.51 -55.9 4.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.881 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 39.1 mtt -54.41 -27.28 35.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.939 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 60.4 mt-30 -80.56 -55.4 4.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -64.22 -15.81 60.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.863 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 2.8 m -53.98 174.94 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 -179.776 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 3.1 p -94.96 -32.57 4.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.148 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -83.18 123.98 30.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.917 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 9.2 m -67.87 -26.47 66.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 -179.788 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 10.8 p -55.84 -25.87 19.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.124 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 16.6 m95 -65.27 -27.09 68.39 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.868 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 8.5 m-80 -66.36 -39.64 89.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.895 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 11.1 mtt -72.34 -39.66 67.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.941 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -54.93 -43.19 73.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.121 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 24.7 t80 -60.52 -43.91 96.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -66.41 -33.94 76.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.807 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 38.2 t80 -60.02 -47.68 84.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.951 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 6.4 mt -65.39 -37.51 80.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.144 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 7.8 mt -71.49 -33.2 69.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.955 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -60.26 -28.27 67.92 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.871 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 9.8 m-80 -98.21 -37.88 9.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.829 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 80.6 t -73.71 -59.74 3.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.16 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 9.5 mm-40 -49.19 -29.72 5.94 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.933 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 4.4 t -70.66 -55.09 15.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.066 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 7.6 p -65.98 -24.8 34.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.185 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.425 ' HB2' HG12 ' A' ' 66' ' ' ILE . 0.1 OUTLIER -74.17 -39.19 63.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.898 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -66.38 -41.11 89.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.868 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 -64.73 -14.39 58.52 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.926 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 84.5 m -95.64 -60.82 1.57 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.153 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 10.6 m-85 -101.69 -43.3 5.9 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.962 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 105.4 42.57 1.72 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.513 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.2 t -153.57 179.42 8.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.957 0.408 . . . . 0.0 110.89 -179.761 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 69.4 p -152.03 150.74 30.31 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.114 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.886 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 208' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.867 0.365 . . . . 0.0 110.918 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 209' ' ' PHE . . . . . . . . . . . . . 72.9 t80 -64.99 -45.32 86.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.774 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 210' ' ' PHE . . . . . . . . . . . . . 40.2 m-85 -61.83 -25.44 67.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.821 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 211' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -76.57 -44.29 35.29 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.871 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 212' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.4 -18.92 56.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.953 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 213' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -86.62 -45.54 10.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.912 179.863 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 214' ' ' ARG . . . . . . . . . . . . . 26.5 ptt180 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.882 179.984 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.23 0.104 0 CA-C-O 120.762 0.234 . . . . 0.0 112.31 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -123.65 137.93 54.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.917 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.2 tp -102.13 114.09 27.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.968 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 55.93 31.23 17.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.095 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 89.29 12.69 62.83 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.507 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -105.45 117.75 34.82 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.796 0.332 . . . . 0.0 111.092 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 23.5 t -93.75 -41.36 12.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.163 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -71.26 145.17 49.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.914 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 45.8 t80 -60.11 -50.35 74.05 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.873 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -52.12 -37.2 53.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.849 -179.758 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 61.0 m-20 -74.76 -29.45 61.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.897 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 81.8 t -71.09 -54.42 17.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.161 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 6.3 pttt -58.93 -32.32 69.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.817 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 63.5 m -65.75 -39.2 90.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.132 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 19.5 mt -69.52 -36.38 76.36 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.937 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 14.1 mt -71.97 -45.99 58.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.928 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 11.3 ttpt -52.86 -43.7 66.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.892 179.798 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 25.2 pt-20 -77.45 -41.13 40.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.86 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 33.1 t90 -63.24 -15.42 57.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.93 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 38.1 mt -102.11 -13.39 8.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.162 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 71.7 p -103.78 -56.12 2.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.148 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 12.7 t -66.64 -17.54 64.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.092 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.2 mt -128.03 127.17 67.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.159 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -106.82 -25.76 11.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.858 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 86.4 m-20 -112.6 79.6 3.24 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.612 0.72 . . . . 0.0 110.906 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.66 143.26 50.75 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.706 2.27 . . . . 0.0 112.376 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 65.3 mtm -91.46 166.79 12.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.844 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -63.85 -57.76 8.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -51.67 -31.55 26.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.909 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -73.08 -39.75 65.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.909 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 19.6 mt -71.87 -41.81 69.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.144 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -52.15 -38.55 57.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.912 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -54.16 -31.26 52.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.945 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 11.7 t -73.46 -34.67 43.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.094 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 96.8 t -67.96 -51.83 45.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.089 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 16.8 mmm180 -58.72 -25.7 63.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.89 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 67.8 t80 -75.53 -51.84 12.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.862 -179.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 33.5 m -67.44 -46.06 74.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.958 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 34.8 p -53.94 -27.73 32.81 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.185 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 71.5 m-20 -73.97 -37.51 64.47 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.857 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -54.22 -37.97 65.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.906 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.405 HD12 HG13 ' A' ' 107' ' ' VAL . 6.0 mt -59.97 -48.05 89.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.116 179.85 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -73.16 -32.98 65.21 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.938 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 48.0 mm-40 -83.91 -2.37 56.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.901 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 57.08 42.92 25.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.857 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -114.32 34.15 4.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.882 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 21.4 mt -56.6 -18.66 12.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.96 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -50.29 -54.82 18.65 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.886 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.56 -22.27 47.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.939 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 39.5 tp -53.94 -53.7 49.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.978 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.61 -27.2 68.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 179.785 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 48.3 mt -76.7 -42.65 40.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.874 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 92.4 t -70.79 -42.34 77.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.189 179.797 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 30.4 mm -63.07 -53.72 42.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.147 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.407 ' HA ' ' HG2' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -63.8 -25.1 68.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.842 179.917 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 38.9 t80 -80.09 -43.7 21.3 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.885 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 14.3 ptp -74.42 -31.95 62.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.842 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.407 ' HG2' ' HA ' ' A' ' 79' ' ' LYS . 0.0 OUTLIER -70.94 -32.09 68.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.892 179.912 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 2.4 ptm180 -71.2 -29.73 65.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 16.3 mt -82.45 -53.86 5.65 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.911 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 31.7 mtt -56.64 -29.93 62.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.861 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 68.2 mt-30 -78.16 -56.77 4.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.886 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -62.56 -17.63 60.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.893 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -51.69 167.05 0.11 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.81 -179.757 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 2.2 m -90.16 -25.51 5.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.149 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -93.48 128.15 39.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.88 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 16.2 m -71.63 -23.63 61.73 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.912 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 7.6 p -55.55 -24.76 16.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.121 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 11.3 m95 -74.09 -32.81 63.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.941 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 8.4 m-80 -60.05 -38.43 82.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.875 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 17.6 mtm -72.63 -36.27 67.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -56.79 -42.81 80.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.02 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 23.5 t80 -58.59 -48.94 79.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.911 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 44.5 t0 -61.67 -37.88 85.71 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.854 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 31.6 t80 -56.95 -48.32 78.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 10.9 mt -64.61 -40.26 88.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.088 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 18.2 mt -66.91 -36.02 81.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.915 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -59.45 -24.62 63.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.918 179.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 15.3 m-80 -98.76 -41.94 7.44 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.966 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 79.9 t -72.42 -58.72 4.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.107 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 13.3 mm-40 -48.87 -28.79 4.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.946 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 4.7 t -71.99 -55.01 14.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.069 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . 0.405 HG13 HD12 ' A' ' 66' ' ' ILE . 5.3 p -66.45 -26.0 36.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.154 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -74.06 -38.76 63.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.894 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 17.9 mt-30 -66.44 -41.06 89.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 50.8 mt-30 -63.55 -15.84 59.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 51.7 m -95.65 -58.98 1.97 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.149 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -104.77 -43.0 5.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.943 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 110.43 -14.55 30.27 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.48 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -93.56 -174.51 3.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.002 0.429 . . . . 0.0 110.848 -179.78 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 76.4 p -152.62 178.94 9.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.102 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 208' ' ' SER . . . . . . . . . . . . . 1.2 t . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.863 0.363 . . . . 0.0 110.946 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 209' ' ' PHE . . . . . . . . . . . . . 73.3 t80 -80.73 -34.35 34.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.875 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 210' ' ' PHE . . . . . . . . . . . . . 32.5 m-85 -70.03 -25.83 63.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.875 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 211' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -75.74 -47.22 26.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.854 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 212' ' ' LYS . . . . . . . . . . . . . 1.3 pttp -67.94 -26.42 65.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 213' ' ' LYS . . . . . . . . . . . . . 15.0 tppt? -79.51 -54.23 6.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.936 179.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 214' ' ' ARG . . . . . . . . . . . . . 30.9 ptt180 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 179.968 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 N--CA 1.466 -0.135 0 CA-C-O 120.861 0.275 . . . . 0.0 112.327 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -124.9 135.38 52.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.934 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 13.0 tp -103.6 112.36 25.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.934 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 56.46 26.14 10.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.134 179.771 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 95.04 13.03 54.37 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.559 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -107.43 116.73 32.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.889 0.375 . . . . 0.0 111.058 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 19.3 t -94.62 -34.16 5.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.11 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -75.75 144.85 41.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 41.0 t80 -58.72 -53.17 61.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.892 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 79.9 p -51.95 -36.36 49.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.857 -179.822 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 43.5 t0 -74.42 -30.56 61.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.844 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 95.0 t -71.58 -54.93 15.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.148 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 5.9 pttt -57.66 -31.03 65.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.897 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 55.1 m -65.63 -42.78 91.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.114 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 9.7 mt -68.13 -32.95 73.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.932 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 11.8 mt -72.23 -48.86 39.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.931 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 11.5 ttpt -52.68 -41.75 64.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.912 179.793 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -77.27 -41.86 39.32 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.906 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 33.4 t90 -63.94 -14.79 56.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.874 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 33.8 mt -103.27 -9.86 9.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.089 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 77.9 p -108.21 -56.05 2.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.16 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 12.7 t -66.12 -17.74 64.9 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.183 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.2 mt -126.99 128.23 70.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.128 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 36.6 m -106.95 -28.1 10.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.809 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -111.8 79.99 2.78 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-O 121.571 0.7 . . . . 0.0 110.831 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 150.46 68.26 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.71 2.273 . . . . 0.0 112.351 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 49.4 mtm -101.82 156.91 17.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.843 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -51.79 -30.59 23.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.898 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -71.89 -48.32 46.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -58.22 -44.2 88.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.901 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 29.2 mt -71.81 -37.94 63.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.168 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 8.7 mt -58.3 -41.23 83.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.935 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 19.1 mm-40 -54.25 -31.37 53.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.9 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 13.1 t -72.77 -35.04 48.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.143 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 87.4 t -63.69 -51.49 69.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.082 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 24.5 mmm180 -60.06 -25.96 65.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.831 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 72.7 t80 -75.5 -52.27 11.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.93 -179.79 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 86.9 m -67.5 -45.45 75.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.859 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 42.0 p -56.23 -27.06 53.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.152 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -73.56 -34.59 65.22 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.1 mp -58.57 -33.37 69.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.939 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.413 HG12 ' HB2' ' A' ' 108' ' ' LEU . 3.6 mt -65.24 -49.64 77.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.103 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -73.9 -23.91 59.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.954 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 45.8 mm-40 -90.68 -9.64 46.07 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.824 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 64.0 42.48 5.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 45.2 m-20 -116.25 36.31 4.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.869 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 22.9 mt -57.05 -18.47 14.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.882 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 68.0 tt0 -50.24 -54.69 19.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.859 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.12 -22.76 44.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.874 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 44.6 tp -53.92 -55.99 21.85 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.95 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.31 -27.66 64.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.901 179.786 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 43.2 mt -76.72 -44.58 32.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.925 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 92.8 t -69.92 -40.08 78.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.126 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 30.5 mm -64.99 -54.14 33.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.053 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.412 ' HA ' ' HG2' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -63.63 -25.26 68.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.878 179.87 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 37.5 t80 -80.37 -43.77 20.55 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 14.3 ptp -74.22 -32.35 62.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.412 ' HG2' ' HA ' ' A' ' 79' ' ' LYS . 0.0 OUTLIER -70.82 -31.99 68.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.858 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 1.8 ptm180 -71.45 -28.54 64.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.876 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 17.0 mt -82.59 -53.96 5.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 22.1 mtt -57.54 -26.08 60.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 65.4 mt-30 -81.9 -42.07 20.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.867 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -83.81 1.96 40.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.888 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 95.9 p -62.44 -178.07 0.17 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.803 -179.737 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 3.1 p -99.78 -31.65 3.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.201 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 52.6 mm-40 -93.14 135.37 34.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.866 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.7 p -71.38 -24.71 62.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.89 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 19.1 m -58.93 -23.97 25.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.197 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 6.2 m95 -69.19 -35.44 76.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.932 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -56.88 -39.91 75.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.88 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 14.2 mtm -72.52 -34.61 67.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 179.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -53.56 -46.9 70.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.049 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 21.4 t80 -59.52 -40.06 85.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.876 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -67.01 -36.31 81.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.873 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 29.0 t80 -57.96 -47.83 81.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.904 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 6.9 mt -64.25 -39.71 86.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.142 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 21.0 mt -68.87 -34.26 75.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.922 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -60.39 -28.77 68.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.872 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 38.3 m-80 -98.36 -36.89 9.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 76.6 t -74.7 -60.03 2.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.184 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 17.1 mm-40 -49.24 -29.52 5.86 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.92 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 3.4 t -69.81 -53.74 22.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.155 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 7.1 p -68.62 -25.14 30.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.149 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.413 ' HB2' HG12 ' A' ' 66' ' ' ILE . 0.1 OUTLIER -74.12 -39.37 63.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.88 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 15.3 mt-30 -66.1 -41.01 91.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.93 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 44.7 mt-30 -64.66 -14.67 59.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 72.8 m -95.39 -59.84 1.79 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.144 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -104.43 -42.76 5.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 111.26 -14.33 28.18 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.523 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.2 t -94.5 -172.53 2.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.943 0.401 . . . . 0.0 110.876 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 72.4 p -152.51 178.93 9.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.186 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.935 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 208' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.889 0.376 . . . . 0.0 110.843 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 209' ' ' PHE . . . . . . . . . . . . . 73.4 t80 -67.58 -58.2 5.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.969 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 210' ' ' PHE . . . . . . . . . . . . . 64.7 m-85 -58.5 -25.22 62.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.931 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 211' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -75.77 -44.41 41.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.862 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 212' ' ' LYS . . . . . . . . . . . . . 21.0 ptmt -76.19 -22.66 55.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.86 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 213' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.94 -44.32 13.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.947 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 214' ' ' ARG . . . . . . . . . . . . . 18.0 ptp180 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.861 179.926 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo . . . . . 0 N--CA 1.465 -0.193 0 CA-C-O 120.828 0.262 . . . . 0.0 112.314 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -125.71 143.71 50.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.943 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 11.6 tp -96.43 105.75 17.88 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.936 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 56.51 41.02 29.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.142 179.784 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 87.16 0.28 85.3 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.476 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -91.19 109.85 21.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.85 0.357 . . . . 0.0 111.119 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 23.3 t -92.11 -41.11 12.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.16 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 50.5 mm-40 -70.72 133.91 47.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.92 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 46.9 t80 -52.12 -49.54 63.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.916 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.78 -37.68 52.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.812 -179.805 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -74.58 -29.62 61.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.879 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 92.0 t -72.18 -55.32 13.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.136 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 6.7 pttt -57.87 -31.83 67.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.824 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 53.1 m -67.42 -39.4 85.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.17 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 14.4 mt -67.31 -37.81 83.95 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.936 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 8.9 mt -72.02 -44.94 62.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 8.2 ttpt -52.77 -43.65 65.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.955 179.769 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -77.37 -40.83 42.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.847 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 35.5 t90 -63.52 -15.06 56.87 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.898 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 34.9 mt -102.52 -13.08 8.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.137 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 76.5 p -103.81 -55.67 2.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.147 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 13.2 t -68.07 -16.84 64.19 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.133 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.2 mt -129.03 125.44 62.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.178 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -106.87 -26.07 11.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.857 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 89.7 m-20 -114.11 80.07 5.34 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.612 0.72 . . . . 0.0 110.813 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.83 158.31 57.29 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.648 2.232 . . . . 0.0 112.353 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 69.6 mtm -105.13 172.23 6.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.888 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -61.74 -62.0 2.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.867 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 13.6 mp0 -51.66 -30.58 22.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.882 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -68.68 -47.04 67.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.842 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 59.0 mt -71.64 -41.29 71.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.164 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -52.33 -40.75 62.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.878 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -54.1 -32.57 55.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.972 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 13.8 t -73.31 -35.01 45.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.151 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 89.8 t -65.66 -51.24 64.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.167 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 13.3 mmt180 -58.77 -25.61 63.23 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.877 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 69.3 t80 -75.37 -52.0 11.8 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.957 -179.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 88.7 m -67.72 -46.25 72.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.883 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 36.8 p -55.74 -26.02 43.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.146 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -73.61 -38.11 65.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.7 mp -54.83 -33.84 62.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.877 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.419 HG12 ' HB2' ' A' ' 108' ' ' LEU . 3.5 mt -63.42 -46.9 94.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.083 179.843 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 56.3 mm-40 -74.26 -32.41 62.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.877 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -83.42 -8.54 59.37 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.938 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 3.8 mmmm 64.15 39.88 7.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.891 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -113.11 36.59 3.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.82 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 37.0 mt -53.83 -23.39 12.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.971 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -50.51 -48.51 57.02 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.901 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 7.0 mtpt -78.9 -22.79 45.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.914 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 28.2 tp -57.9 -59.92 4.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.919 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -54.98 -26.43 36.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.818 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 54.1 mt -76.9 -52.27 9.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 89.5 t -65.7 -34.51 70.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.156 179.812 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 31.0 mm -70.27 -54.79 17.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.133 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.421 ' HA ' ' HG2' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -63.85 -25.14 68.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 179.848 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 38.0 t80 -81.0 -43.38 19.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.958 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 12.8 ptp -74.37 -32.01 62.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.909 179.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.421 ' HG2' ' HA ' ' A' ' 79' ' ' LYS . 0.0 OUTLIER -71.43 -32.21 68.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 2.3 ptm180 -70.77 -29.84 66.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.901 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 15.9 mt -82.15 -55.77 4.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.901 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 28.4 mtt -54.42 -26.61 31.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.94 179.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 59.1 mt-30 -79.1 -42.77 25.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.87 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -84.92 3.04 40.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.91 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.92 177.13 0.81 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.884 -179.768 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 3.4 p -95.71 -32.73 4.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.157 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 69.7 mm-40 -91.8 116.58 29.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.83 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.6 p -56.55 -25.02 50.86 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.872 -179.794 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 11.0 p -55.88 -29.07 25.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.157 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 5.6 m95 -62.95 -35.03 78.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.878 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 15.0 m-80 -57.56 -42.3 82.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.917 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 15.7 mtm -72.56 -31.57 65.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.862 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -58.38 -44.48 88.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.092 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 26.2 t80 -60.81 -43.93 97.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.92 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -62.48 -38.36 89.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.815 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 21.8 t80 -56.72 -48.5 77.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 7.8 mt -61.38 -42.26 93.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.101 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 24.4 mt -67.96 -33.89 75.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.862 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -60.14 -29.34 68.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.917 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 16.8 m-80 -98.2 -36.82 9.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.834 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 87.7 t -74.31 -60.31 2.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.189 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 17.7 mm-40 -49.28 -29.56 6.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.934 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 3.4 t -69.96 -53.1 25.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.162 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 7.7 p -68.97 -24.79 28.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.11 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.419 ' HB2' HG12 ' A' ' 66' ' ' ILE . 0.1 OUTLIER -73.85 -39.17 64.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.925 179.964 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -65.61 -41.25 92.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.936 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 51.4 mt-30 -64.2 -15.06 59.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.922 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 65.9 m -95.5 -59.11 1.95 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.206 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -105.06 -42.84 5.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.849 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 110.87 -14.54 29.1 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.529 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 99.9 p -94.72 -172.78 2.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.949 0.404 . . . . 0.0 110.847 -179.727 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 69.1 p -152.42 -177.63 6.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.136 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.909 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 208' ' ' SER . . . . . . . . . . . . . 10.8 p . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.921 0.391 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 209' ' ' PHE . . . . . . . . . . . . . 71.0 t80 -64.25 -49.15 73.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.889 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 210' ' ' PHE . . . . . . . . . . . . . 56.5 m-85 -59.95 -27.02 66.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.822 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 211' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -72.18 -44.99 62.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 212' ' ' LYS . . . . . . . . . . . . . 8.4 pttt -76.17 -20.43 57.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.869 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 213' ' ' LYS . . . . . . . . . . . . . 1.6 tppt? -88.73 -38.23 14.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.923 179.827 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 214' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.846 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 -0.059 0 CA-C-O 120.75 0.31 . . . . 0.0 111.089 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -120.07 159.93 45.15 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.62 0.724 . . . . 0.0 111.103 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 86.23 0.59 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.671 2.247 . . . . 0.0 112.325 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -124.43 141.14 52.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.828 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.5 tp -110.17 112.94 25.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.908 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 53.89 28.55 8.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.146 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 94.94 13.15 54.14 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.468 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -110.58 113.7 26.53 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.832 0.349 . . . . 0.0 111.062 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 18.4 t -91.48 -37.5 9.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.091 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -71.37 143.37 50.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.876 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 37.5 t80 -58.84 -52.61 64.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.851 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.02 -37.0 42.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.89 -179.846 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -75.18 -31.51 60.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.884 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 99.2 t -69.82 -57.41 8.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.052 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 6.5 pttt -55.13 -31.14 61.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.914 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 52.1 m -68.13 -38.76 82.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.09 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 67.0 mt -70.1 -35.29 74.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.4 mt -71.98 -47.27 53.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.938 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 7.8 ttpt -52.82 -44.37 66.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.871 179.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -75.91 -42.01 50.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.845 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 35.1 t90 -63.52 -14.82 54.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 40.7 mt -102.33 -16.09 7.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.14 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 74.1 p -100.04 -55.71 2.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.154 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 13.2 t -66.32 -16.63 64.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.146 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.3 mt -128.92 127.95 66.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.123 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 44.6 m -106.87 -24.32 12.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.833 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -113.86 79.13 4.41 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.609 0.719 . . . . 0.0 110.884 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 151.73 69.14 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.681 2.254 . . . . 0.0 112.326 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 74.6 mtm -101.32 163.85 12.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 45.7 tt0 -62.25 -34.97 77.54 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.877 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -66.62 -47.81 71.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.886 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -61.58 -47.56 84.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.893 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 48.8 mt -64.47 -30.41 50.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.108 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.9 mt -64.74 -38.21 90.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.915 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 5.5 mm-40 -54.01 -30.93 49.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.925 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 15.0 t -71.34 -34.87 55.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.116 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 98.0 t -64.46 -50.36 76.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.135 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 26.0 mmm180 -59.59 -26.83 65.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.904 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 72.5 t80 -75.5 -53.62 8.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.869 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 21.2 m -65.11 -43.28 92.52 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.861 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 38.0 p -58.05 -28.32 64.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.159 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -74.02 -36.88 64.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.1 mp -54.02 -32.67 55.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.899 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.405 HD12 HG13 ' A' ' 107' ' ' VAL . 5.4 mt -64.85 -47.66 87.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.136 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -73.79 -34.23 64.55 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.859 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -81.83 -9.5 59.59 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.907 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 4.6 mmtm 63.76 39.92 8.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.915 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 53.6 m-20 -110.57 35.37 3.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 18.0 mt -53.27 -25.33 14.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.962 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -50.51 -46.62 57.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.923 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 5.8 mtpt -79.06 -22.92 44.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.89 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 22.5 tp -57.77 -62.18 1.98 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -54.58 -26.5 32.75 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.831 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 50.4 mt -76.97 -44.04 32.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.887 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 85.2 t -71.29 -42.05 74.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.103 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 39.2 mm -59.08 -57.22 12.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.111 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.09 -34.27 75.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.892 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 56.5 t80 -66.13 -53.54 36.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.872 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 12.4 ptp -65.84 -27.42 68.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.873 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.89 -57.61 11.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.926 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 12.2 ptt180 -53.64 -26.84 23.98 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.873 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 31.4 mt -81.44 -54.09 5.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.879 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 27.5 mtt -61.03 -27.83 68.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.872 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 22.6 mm-40 -80.17 -50.0 10.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.963 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -69.17 -19.3 64.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.928 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 10.0 m -52.11 149.03 5.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.856 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 3.2 p -71.07 -32.07 46.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.16 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -85.26 125.63 33.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.916 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 9.7 p -71.53 -23.62 61.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.852 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 29.5 m -56.39 -24.29 18.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.162 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 24.4 m95 -65.36 -35.88 82.33 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.928 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -56.11 -39.94 72.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.908 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 23.0 mtm -70.8 -40.1 72.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -53.03 -40.83 64.2 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.096 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 40.2 t80 -59.35 -47.82 83.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.891 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -64.57 -35.83 82.24 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.86 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 26.9 t80 -58.86 -44.14 90.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.895 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 11.6 mt -69.21 -39.36 79.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.12 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 25.7 mt -68.51 -34.75 76.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.931 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -59.82 -26.79 66.06 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.821 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 28.3 m-80 -97.82 -40.41 8.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 76.3 t -71.85 -58.9 4.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.223 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 14.4 mm-40 -49.2 -29.24 5.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.933 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 5.3 t -71.38 -56.15 11.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.174 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.405 HG13 HD12 ' A' ' 66' ' ' ILE . 5.8 p -65.01 -26.06 39.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.131 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -74.21 -38.55 63.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.951 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 15.5 mt-30 -67.1 -41.3 86.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.926 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 53.5 mt-30 -63.78 -14.91 56.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.866 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 60.5 m -95.81 -60.6 1.61 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.12 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 11.3 m-85 -102.66 -42.7 5.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.948 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 111.58 -14.54 27.33 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.486 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 36.3 m -93.33 -175.77 3.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.968 0.413 . . . . 0.0 110.837 -179.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 70.8 p -152.68 -178.03 6.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.159 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -94.12 147.14 23.44 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.903 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -96.13 102.52 14.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.852 179.804 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 4.8 m -117.79 111.12 33.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.178 179.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 9.1 t . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.15 -179.951 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 207' ' ' LYS . . . . . . . . . . . . . 11.5 tptm . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.739 0.304 . . . . 0.0 110.949 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 208' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -177.05 139.5 0.28 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.835 -179.816 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 209' ' ' PHE . . . . . . . . . . . . . 81.6 t80 -53.98 -40.98 67.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.896 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 210' ' ' PHE . . . . . . . . . . . . . 18.4 m-85 -65.05 -26.55 68.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.849 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 211' ' ' ASP . . . . . . . . . . . . . 42.3 t0 -75.3 -46.71 31.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.906 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 212' ' ' LYS . . . . . . . . . . . . . 10.4 pttt -72.17 -24.89 61.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.885 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 213' ' ' LYS . . . . . . . . . . . . . 4.7 tppt? -82.96 -45.25 14.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.908 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 214' ' ' ARG . . . . . . . . . . . . . 43.4 ptt85 -64.74 -32.51 74.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.856 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 215' ' ' SER . . . . . . . . . . . . . 2.4 t -76.96 -25.93 53.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.88 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 216' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -64.37 -44.82 90.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.853 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 217' ' ' ARG . . . . . . . . . . . . . 12.1 ptm180 -72.15 -39.16 68.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.848 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 218' ' ' ILE . . . . . . . . . . . . . 49.1 mt -68.97 -36.07 72.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.106 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 219' ' ' SER . . . . . . . . . . . . . 28.8 t -80.5 161.86 24.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.828 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 220' ' ' ASN . . . . . . . . . . . . . 3.5 t30 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.948 -179.942 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.81 0.338 . . . . 0.0 111.066 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -120.34 160.12 44.94 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.619 0.723 . . . . 0.0 111.025 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.77 85.06 0.63 Allowed 'Trans proline' 0 N--CA 1.465 -0.188 0 C-N-CA 122.628 2.219 . . . . 0.0 112.375 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -119.18 135.28 54.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.875 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 8.5 tp -110.38 113.68 26.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.906 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 55.98 25.91 9.32 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.052 179.756 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 95.1 13.1 53.92 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.528 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -107.73 113.87 27.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.842 0.353 . . . . 0.0 111.106 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 22.4 t -93.27 -30.01 4.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.117 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 63.5 mt-10 -77.56 142.41 39.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.852 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 37.3 t80 -57.79 -52.91 63.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.869 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.6 p -51.68 -36.6 47.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.859 -179.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 61.3 m-20 -75.38 -30.5 60.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.863 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 96.5 t -70.26 -57.2 8.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.113 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 5.2 pttt -55.38 -30.57 60.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.924 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 51.7 m -65.92 -45.95 80.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.128 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 8.7 mt -64.82 -32.87 74.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.926 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 11.8 mt -72.06 -48.92 40.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.912 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.77 -41.71 64.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.904 179.782 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 23.9 pt-20 -77.35 -41.98 38.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.858 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 35.3 t90 -64.04 -14.83 57.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.888 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 34.8 mt -102.51 -12.38 8.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.125 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 74.1 p -104.93 -55.48 2.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.126 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 12.7 t -67.86 -17.46 64.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.217 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.4 mt -127.95 127.24 67.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.183 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -106.87 -25.39 11.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.897 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -115.07 80.33 6.91 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.715 0.769 . . . . 0.0 110.878 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 157.8 59.09 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.669 2.246 . . . . 0.0 112.316 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 32.9 mtm -106.25 160.18 15.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.885 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -56.22 -34.16 66.05 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.944 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 -66.68 -51.51 55.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.891 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -57.06 -49.15 76.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.9 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 60.8 mt -62.91 -31.83 53.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.106 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 10.4 mt -64.65 -40.08 94.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.905 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 43.5 mt-30 -54.03 -29.97 45.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.865 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 14.3 t -72.98 -34.78 46.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.141 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 94.1 t -64.69 -46.87 91.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.093 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -62.14 -32.41 73.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.861 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 43.2 t80 -71.29 -48.92 47.83 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.875 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 15.3 m -67.88 -44.93 75.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.839 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 40.2 p -59.64 -25.09 64.4 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.158 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -74.07 -36.7 64.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.919 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.3 mp -54.18 -38.05 65.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.913 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.406 HD12 HG11 ' A' ' 107' ' ' VAL . 5.7 mt -61.39 -45.21 99.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.097 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 35.2 mm-40 -73.7 -36.62 65.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.885 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -83.44 -0.67 51.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.868 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 55.56 40.78 31.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.906 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -112.07 32.97 5.12 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.815 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 31.0 mt -51.95 -24.41 6.43 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.964 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -49.93 -45.49 51.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.941 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.6 mttt -79.41 -24.47 42.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.877 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 32.2 tp -55.44 -60.73 3.01 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.889 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -54.16 -27.04 31.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.849 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 53.9 mt -76.87 -46.83 23.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.921 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 90.6 t -68.86 -38.94 79.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.126 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 34.9 mm -63.2 -57.79 10.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.156 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.46 -32.25 72.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.874 179.85 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 53.7 t80 -67.03 -55.89 12.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.868 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 12.3 ptp -63.93 -27.36 69.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.842 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.39 -57.48 12.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.878 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 3.4 ptm180 -53.85 -26.18 23.23 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.86 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 52.6 mt -81.92 -53.23 6.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 20.2 mtt -62.8 -25.93 68.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.891 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 20.6 mm-40 -83.32 -46.0 13.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.851 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -74.99 -7.85 54.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.93 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 96.6 p -57.57 -178.44 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.813 -179.775 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 2.7 p -104.36 -31.67 2.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.135 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -90.35 120.9 31.87 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.939 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.1 t -61.84 -19.33 62.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.807 -179.739 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 26.4 m -60.77 -31.48 49.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.132 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 10.7 m95 -59.83 -38.79 83.02 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.888 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -56.55 -35.47 68.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.903 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 22.0 mtm -72.49 -40.9 66.53 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.88 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -52.95 -39.97 63.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.073 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 40.8 t80 -59.99 -48.29 82.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.898 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -63.32 -37.14 86.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.894 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 21.9 t80 -59.01 -46.89 87.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.953 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 16.7 mt -65.66 -38.31 82.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.103 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 24.2 mt -70.33 -33.68 71.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.899 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -60.07 -26.69 66.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.823 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -97.95 -39.66 8.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.926 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 80.0 t -72.62 -58.74 4.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.129 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 12.8 mm-40 -49.02 -29.25 4.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 7.4 t -71.43 -55.95 12.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.151 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.406 HG11 HD12 ' A' ' 66' ' ' ILE . 5.9 p -65.17 -26.37 39.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.167 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -74.28 -38.64 63.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.879 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -67.09 -40.66 86.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.937 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 56.0 mt-30 -64.07 -15.1 58.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.883 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 52.7 m -95.7 -60.73 1.59 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.136 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -102.54 -42.47 5.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.994 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 111.41 -14.51 27.76 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.678 -0.773 . . . . 0.0 112.42 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -93.01 -176.33 4.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.012 0.434 . . . . 0.0 110.79 -179.666 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 75.0 p -152.53 176.75 11.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.165 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -91.99 138.57 31.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.859 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.67 98.44 6.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.924 179.786 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 3.7 m -118.32 93.06 2.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.127 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.15 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 207' ' ' LYS . . . . . . . . . . . . . 19.7 ttpt . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.726 0.298 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 208' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -179.35 157.81 0.82 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.833 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 209' ' ' PHE . . . . . . . . . . . . . 61.4 t80 -65.25 -58.62 5.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.921 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 210' ' ' PHE . . . . . . . . . . . . . 30.9 m-85 -57.37 -24.62 56.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.885 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 211' ' ' ASP . . . . . . . . . . . . . 66.0 m-20 -76.51 -44.26 35.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.825 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 212' ' ' LYS . . . . . . . . . . . . . 16.0 ptmt -77.43 -18.98 56.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 213' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.79 -46.31 9.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.845 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 214' ' ' ARG . . . . . . . . . . . . . 15.2 ptt180 -55.44 -28.16 52.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.831 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 215' ' ' SER . . . . . . . . . . . . . 4.8 t -70.12 -26.22 63.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.848 -179.754 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 216' ' ' GLU . . . . . . . . . . . . . 33.4 mm-40 -61.12 -56.48 20.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.846 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 217' ' ' ARG . . . . . . . . . . . . . 12.3 ptm180 -63.71 -41.27 98.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.885 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 218' ' ' ILE . . . . . . . . . . . . . 48.2 mt -65.69 -25.34 36.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.139 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 219' ' ' SER . . . . . . . . . . . . . 30.9 t -91.78 -26.32 18.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.904 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 220' ' ' ASN . . . . . . . . . . . . . 5.0 t30 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.839 -179.968 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.831 0.348 . . . . 0.0 111.125 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -105.37 160.2 26.84 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.633 0.73 . . . . 0.0 111.086 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -69.8 91.17 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.654 2.236 . . . . 0.0 112.298 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -126.2 135.24 51.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.878 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 9.1 tp -106.44 110.88 23.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.922 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 55.32 28.19 11.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.146 179.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 95.04 12.79 54.74 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.477 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -108.22 110.76 22.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.815 0.341 . . . . 0.0 111.065 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 21.3 t -91.89 -25.52 5.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.104 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -82.83 140.4 32.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.832 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 44.8 t80 -55.96 -53.67 54.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.871 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.49 -36.45 44.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.926 -179.806 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 47.8 t0 -75.06 -31.49 61.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.881 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 97.2 t -69.72 -56.77 10.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.108 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 6.6 pttt -55.5 -31.81 62.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.903 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 54.6 m -64.81 -45.54 85.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.182 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 13.8 mt -64.85 -32.69 74.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.919 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 10.3 mt -72.56 -49.98 28.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.935 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -52.62 -40.82 63.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.872 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 26.5 pt-20 -77.14 -36.78 55.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.889 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 29.5 t90 -70.36 -15.1 62.82 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.973 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.426 ' O ' ' CG2' ' A' ' 44' ' ' ILE . 19.3 mt -106.16 6.38 10.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.149 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 44.6 p -122.35 -54.81 1.87 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.187 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 13.5 t -74.47 -6.92 51.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.2 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.2 mt -136.74 128.65 43.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.096 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.3 p -106.85 -25.36 11.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.828 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -112.25 78.44 2.5 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.593 0.711 . . . . 0.0 110.909 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 137.24 34.96 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.645 2.23 . . . . 0.0 112.348 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 10.9 ttm -86.65 156.54 19.96 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.823 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -57.13 -50.36 73.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.926 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 28.2 tp10 -51.79 -33.55 35.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.934 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -75.24 -39.72 59.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.818 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 60.1 mt -68.18 -44.4 84.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.168 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -51.65 -38.51 55.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -54.24 -31.8 54.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.932 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 13.2 t -73.22 -34.51 44.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.139 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 98.8 t -66.3 -49.92 72.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.097 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 19.1 mmt180 -59.63 -27.28 66.19 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.814 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 72.6 t80 -74.94 -53.9 8.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.956 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 19.5 m -64.77 -43.45 93.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.899 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 40.6 p -58.83 -27.27 64.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.159 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -74.05 -36.41 64.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.85 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.7 mp -54.17 -36.92 63.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.926 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 5.6 mt -60.8 -47.32 93.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.131 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -73.83 -33.26 64.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.935 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -84.58 -1.87 56.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.852 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 4.3 mmmm 56.61 41.17 28.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -112.2 32.77 5.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.86 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 20.4 mt -53.14 -23.92 9.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.922 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -50.5 -47.14 57.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.856 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -78.8 -23.42 45.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 22.7 tp -55.78 -61.87 2.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.921 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -53.74 -27.24 27.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.869 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 52.5 mt -76.5 -45.42 31.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.98 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 90.5 t -69.76 -39.29 77.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.107 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 37.6 mm -63.09 -57.52 11.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.176 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.22 -33.07 72.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.858 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 55.1 t80 -66.35 -56.31 11.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.923 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 12.3 ptp -63.39 -27.18 69.13 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.942 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.89 -57.39 12.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.914 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 2.9 ptm180 -54.5 -26.16 29.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.84 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 58.2 mt -81.38 -54.38 5.52 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.901 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 25.8 mtt -61.74 -28.46 69.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.92 179.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 22.4 mm-40 -79.07 -47.49 16.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -72.18 -17.98 61.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.918 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 3.6 m -51.98 153.59 2.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.8 -179.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 3.8 p -76.28 -32.74 22.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.164 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -86.07 129.53 34.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.92 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 52.0 p -71.47 -25.93 62.5 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.868 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 11.3 p -54.82 -27.32 18.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.167 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 19.4 m95 -63.77 -37.76 88.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.912 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 8.3 m-80 -59.17 -35.29 73.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.912 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 21.3 mtm -72.33 -41.26 66.7 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.928 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -53.1 -40.04 63.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.11 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 38.8 t80 -58.58 -51.4 70.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.866 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -61.14 -38.3 85.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 25.8 t80 -57.77 -47.76 81.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.902 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 19.5 mt -65.22 -39.97 87.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.104 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 22.7 mt -67.84 -34.91 77.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.879 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -59.56 -25.4 64.53 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 29.3 m-80 -97.98 -42.04 7.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.84 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 74.8 t -71.14 -58.4 5.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.091 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 15.9 mm-40 -49.19 -29.15 5.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.938 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 5.9 t -71.69 -55.67 12.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.177 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 5.2 p -65.47 -26.5 39.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.065 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -74.27 -38.57 63.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -67.54 -41.21 84.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.936 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 -64.04 -14.79 56.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.92 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 71.4 m -95.55 -60.85 1.57 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.164 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 11.3 m-85 -102.17 -42.6 6.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.924 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 111.86 -14.39 26.69 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.528 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.2 t -93.98 -174.72 3.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.956 0.408 . . . . 0.0 110.838 -179.74 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 74.9 p -152.64 -179.5 7.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.217 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -86.58 155.71 20.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.855 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.17 98.94 9.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 179.837 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 6.0 m -117.81 107.06 21.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.147 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 25.8 m . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.075 -179.923 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 207' ' ' LYS . . . . . . . . . . . . . 28.0 tttp . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.887 0.375 . . . . 0.0 110.836 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 208' ' ' SER . . . . . . . . . . . . . 1.1 p -172.71 150.59 2.17 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.84 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 209' ' ' PHE . . . . . . . . . . . . . 42.1 t80 -67.48 -37.95 83.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.912 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 210' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -65.93 -24.54 66.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.891 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 211' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -75.16 -41.02 59.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 212' ' ' LYS . . . . . . . . . . . . . 11.8 ptmt -77.73 -18.55 56.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.931 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 213' ' ' LYS . . . . . . . . . . . . . 2.0 tmtt? -88.0 -41.23 13.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.906 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 214' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.81 -30.13 71.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.815 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 215' ' ' SER . . . . . . . . . . . . . 15.9 m -60.9 -61.96 2.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.842 -179.78 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 216' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -54.41 -36.64 64.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.885 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 217' ' ' ARG . . . . . . . . . . . . . 43.4 ttm-85 -61.21 -35.39 77.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.865 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 218' ' ' ILE . . . . . . . . . . . . . 10.7 mt -71.57 -23.82 22.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.077 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 219' ' ' SER . . . . . . . . . . . . . 8.5 t -94.64 -174.19 3.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.942 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 220' ' ' ASN . . . . . . . . . . . . . 29.2 t30 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.865 -179.975 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.747 0.308 . . . . 0.0 111.103 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -102.91 160.37 26.42 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.592 0.71 . . . . 0.0 111.101 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 96.54 0.6 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.748 2.299 . . . . 0.0 112.341 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -125.27 139.36 53.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.92 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 10.6 tp -105.72 113.56 27.2 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.936 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 55.37 27.57 10.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.038 179.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 94.42 12.99 55.35 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.519 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -105.5 111.89 24.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.743 0.306 . . . . 0.0 111.101 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 37.4 t -91.03 -32.18 5.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.13 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -80.26 137.74 36.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.949 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 41.7 t80 -53.35 -50.89 64.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -51.99 -37.02 51.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.864 -179.795 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 80.7 m-20 -74.41 -29.88 61.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.901 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 96.3 t -71.51 -56.07 11.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.068 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 5.7 pttt -57.14 -30.37 64.37 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 57.5 m -69.5 -37.71 77.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.134 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 21.0 mt -70.2 -36.05 74.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.927 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.7 mt -72.22 -45.94 58.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.874 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 10.8 ttpt -53.24 -42.7 66.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.872 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -77.22 -42.26 38.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.833 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 35.6 t90 -63.65 -14.56 53.01 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.863 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 45.1 mt -102.57 -15.26 7.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.048 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 74.4 p -101.41 -55.89 2.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.128 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 12.9 t -66.27 -16.41 64.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.138 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.3 mt -128.76 127.01 66.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.128 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -106.7 -25.57 11.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.835 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -112.65 78.32 2.73 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.553 0.692 . . . . 0.0 110.8 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 148.87 66.03 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.729 2.286 . . . . 0.0 112.325 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 18.3 mtm -95.38 155.89 16.55 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -55.07 -40.28 70.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.908 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -64.79 -49.23 71.51 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.888 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -55.26 -43.75 74.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 60.4 mt -69.26 -30.94 47.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.182 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.7 mt -64.29 -36.25 83.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.917 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 3.1 mm100 -54.6 -31.31 56.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.953 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 14.6 t -71.8 -34.62 52.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.142 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 92.9 t -63.03 -52.15 62.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.099 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 25.1 mmt180 -59.6 -25.81 64.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.86 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 74.2 t80 -75.27 -52.24 11.34 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.953 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 39.5 m -67.27 -46.24 74.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.88 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 35.0 p -52.84 -28.17 21.67 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.122 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 58.9 m-20 -73.68 -38.6 64.84 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.837 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -54.08 -31.72 52.7 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.892 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.415 HD11 HG13 ' A' ' 107' ' ' VAL . 5.6 mt -66.82 -49.64 72.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.041 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 48.3 mm-40 -73.17 -24.24 60.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.911 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -90.85 -10.95 40.8 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.889 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 59.4 mmtt 64.66 42.18 4.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.95 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -114.4 37.41 3.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.865 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 22.5 mt -57.67 -17.97 17.92 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.939 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -50.25 -55.7 14.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.961 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.59 -22.38 47.18 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.93 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 44.3 tp -54.42 -57.27 11.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.92 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.78 -26.6 64.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.915 179.833 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 56.6 mt -76.79 -43.45 36.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 92.6 t -69.03 -39.46 79.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.158 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 34.4 mm -63.16 -57.71 10.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.124 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.19 -32.17 71.93 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 60.3 t80 -67.36 -56.43 9.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.936 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 11.7 ptp -62.68 -27.52 69.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.89 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.52 -57.73 11.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 3.5 ptm180 -54.41 -25.67 26.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.869 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 43.1 mt -81.62 -53.65 6.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.927 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 19.4 mtt -63.31 -26.08 68.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.944 179.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 19.1 mm-40 -81.91 -42.18 19.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.919 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -80.6 -5.54 56.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 92.9 p -57.36 -179.17 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.824 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 2.7 p -104.18 -32.59 2.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.137 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 68.4 mm-40 -91.92 119.48 31.72 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.801 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -56.66 -24.98 52.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.8 -179.772 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 14.0 p -54.78 -32.06 25.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.098 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 7.9 m95 -61.25 -37.64 83.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.881 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 7.4 m120 -57.79 -38.46 75.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.909 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 33.8 mtm -72.47 -38.1 68.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.859 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -53.08 -43.48 66.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.12 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 39.1 t80 -57.52 -46.64 83.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.953 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -65.32 -36.12 83.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.892 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 23.6 t80 -59.14 -43.23 92.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 13.1 mt -70.21 -38.51 74.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.102 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 24.0 mt -69.41 -34.25 74.21 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.893 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -60.34 -27.3 67.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.864 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 9.1 m-80 -97.86 -38.61 9.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.944 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 79.2 t -73.2 -59.07 3.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.16 179.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 14.4 mm-40 -49.18 -29.25 5.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 5.1 t -70.59 -57.06 8.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.187 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.415 HG13 HD11 ' A' ' 66' ' ' ILE . 5.6 p -64.52 -25.28 37.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.144 179.852 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -74.41 -38.99 62.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 23.0 mt-30 -66.89 -41.44 87.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.922 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -63.2 -15.52 57.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.904 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 57.1 m -95.67 -60.89 1.55 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.114 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -102.16 -43.03 5.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.86 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 111.48 -14.37 27.63 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.448 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.2 t -93.21 -176.39 4.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.971 0.415 . . . . 0.0 110.89 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 70.8 p -152.74 -178.02 6.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.093 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -96.75 149.73 21.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.945 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.26 96.73 10.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.898 179.789 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 3.8 m -118.16 90.16 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.182 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 14.1 t . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.171 -179.948 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 207' ' ' LYS . . . . . . . . . . . . . 16.0 mttp . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.801 0.334 . . . . 0.0 110.948 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 208' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -179.43 141.1 0.16 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.822 -179.888 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 209' ' ' PHE . . . . . . . . . . . . . 70.7 t80 -56.02 -47.58 77.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.89 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 210' ' ' PHE . . . . . . . . . . . . . 40.2 m-85 -59.66 -24.36 63.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.854 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 211' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -76.73 -44.29 33.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.857 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 212' ' ' LYS . . . . . . . . . . . . . 11.6 pttt -77.37 -18.79 57.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.892 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 213' ' ' LYS . . . . . . . . . . . . . 8.7 tmtt? -86.67 -44.77 11.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.898 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 214' ' ' ARG . . . . . . . . . . . . . 38.4 ptt85 -56.53 -25.9 53.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.86 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 215' ' ' SER . . . . . . . . . . . . . 67.8 p -78.4 -25.99 46.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.824 -179.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 216' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -55.23 -55.25 33.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.922 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 217' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.38 -32.26 73.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.917 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 218' ' ' ILE . . . . . . . . . . . . . 59.3 mt -72.72 -23.9 21.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.148 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 219' ' ' SER . . . . . . . . . . . . . 12.3 t -136.58 86.13 2.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 220' ' ' ASN . . . . . . . . . . . . . 6.9 m120 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.917 -179.958 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.049 0 CA-C-O 120.839 0.352 . . . . 0.0 111.149 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -120.37 159.34 48.22 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.54 0.686 . . . . 0.0 111.136 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 86.64 0.57 Allowed 'Trans proline' 0 N--CA 1.465 -0.158 0 C-N-CA 122.746 2.298 . . . . 0.0 112.302 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -118.3 136.36 53.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.902 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -107.19 114.94 29.3 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.954 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 56.56 29.01 14.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.116 179.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 90.56 12.97 60.36 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.426 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -107.78 117.4 34.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.862 0.363 . . . . 0.0 111.065 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 21.9 t -93.64 -45.26 13.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.069 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -67.14 136.82 55.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.879 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 31.1 t80 -52.55 -51.52 59.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.822 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 74.2 p -51.71 -37.13 49.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.799 -179.727 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 68.6 m-20 -74.52 -29.47 61.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.853 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 40.8 t -71.26 -56.88 9.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.184 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.0 ptmt -56.32 -34.56 66.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.947 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 51.7 m -62.99 -40.08 96.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.127 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 44.1 mt -66.56 -36.75 83.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.957 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.8 mt -71.95 -46.06 58.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.928 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 12.0 ttpt -52.7 -43.29 65.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.844 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -77.26 -42.83 35.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.834 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 38.9 t90 -63.58 -14.94 56.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.873 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 53.3 mt -101.94 -14.68 8.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.128 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 69.6 p -102.65 -55.86 2.36 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.136 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 12.8 t -65.61 -16.71 63.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.1 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.3 mt -127.91 133.98 66.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.156 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -107.37 -33.11 7.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.805 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -110.75 82.68 3.07 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.523 0.678 . . . . 0.0 110.791 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 144.55 54.16 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.627 2.218 . . . . 0.0 112.377 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 9.0 ttp -89.09 159.76 17.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.896 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 81.0 tt0 -56.49 -51.44 68.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.92 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 66.7 mm-40 -52.31 -50.95 61.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.911 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -55.17 -47.11 75.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.905 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 57.1 mt -65.71 -30.77 51.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.151 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 7.1 mt -66.61 -35.54 80.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.955 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 3.5 mm-40 -54.1 -31.73 52.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.864 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 13.9 t -71.66 -34.64 52.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.112 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 97.5 t -63.77 -52.89 51.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.099 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 12.7 mmm180 -59.44 -26.56 65.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.89 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 72.1 t80 -75.53 -53.78 8.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.973 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 17.6 m -65.44 -43.44 90.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.918 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 39.4 p -56.9 -27.15 60.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.132 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 62.0 m-20 -74.21 -37.25 63.92 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.819 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.9 mp -54.52 -33.74 60.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.856 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.409 HD13 HG11 ' A' ' 107' ' ' VAL . 5.4 mt -63.88 -47.89 88.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.119 179.841 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -73.73 -33.08 64.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.829 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -82.89 -8.43 59.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.829 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 3.2 mmmt 63.3 38.8 10.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -109.98 35.68 3.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.91 179.832 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 19.3 mt -53.27 -24.88 12.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.904 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -50.46 -47.79 56.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.845 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 5.5 mtpt -78.73 -22.63 46.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 24.0 tp -58.02 -61.72 2.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.92 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -54.27 -27.02 32.28 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.852 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 47.3 mt -76.72 -47.73 20.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.906 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 87.1 t -68.2 -37.75 78.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.12 179.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 33.7 mm -65.1 -57.34 11.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.155 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.83 -30.36 70.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.875 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 56.8 t80 -68.48 -56.72 7.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.907 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 12.9 ptp -62.35 -27.36 69.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.831 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.03 -57.4 13.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.934 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 3.7 ptm180 -54.66 -26.35 32.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.864 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 66.4 mt -80.72 -54.66 5.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.914 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 26.9 mtt -62.01 -28.63 69.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.844 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -78.84 -48.49 14.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.939 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -69.3 -19.88 63.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.951 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 21.8 m -51.75 152.96 2.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.806 -179.758 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 3.5 p -77.02 -33.05 20.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.211 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 46.8 mp0 -84.75 128.77 34.77 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.897 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 4.4 p -71.67 -24.39 61.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.839 -179.76 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 10.8 p -54.78 -26.33 16.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.132 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 37.4 m95 -65.66 -33.46 75.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.943 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 7.8 m-80 -60.85 -35.91 77.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.905 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 18.0 mtm -72.52 -39.8 67.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.877 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -53.48 -44.05 68.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.173 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 32.1 t80 -56.57 -49.45 74.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.932 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.0 -35.89 81.73 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.819 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 19.4 t80 -60.66 -44.8 96.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.857 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 21.2 mt -68.78 -38.26 78.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.11 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 21.3 mt -70.47 -33.98 71.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.935 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -59.79 -25.98 65.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.851 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 30.3 m-80 -97.81 -41.33 8.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.837 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 75.1 t -71.36 -58.5 5.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.151 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 14.3 mm-40 -49.04 -29.32 4.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.984 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 6.2 t -71.5 -55.41 13.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.112 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.409 HG11 HD13 ' A' ' 66' ' ' ILE . 5.6 p -65.96 -25.47 36.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.14 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -74.17 -38.72 63.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.003 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -66.85 -41.11 87.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.944 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -63.36 -15.68 58.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.922 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 52.7 m -95.75 -60.48 1.64 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.145 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -102.44 -43.11 5.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.97 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 111.09 -14.35 28.59 Favored Glycine 0 C--N 1.331 0.298 0 C-N-CA 120.659 -0.781 . . . . 0.0 112.498 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 94.4 p -93.31 -177.7 4.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.941 0.4 . . . . 0.0 110.908 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 82.1 p -152.64 170.81 19.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.14 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -86.82 142.9 27.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.73 97.8 10.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.977 179.764 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 3.7 m -118.23 87.9 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.081 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 15.3 t . . . . . 0 C--N 1.33 -0.25 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.175 179.984 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 207' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.784 0.326 . . . . 0.0 110.914 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 208' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -179.11 146.7 0.31 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.909 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 209' ' ' PHE . . . . . . . . . . . . . 65.1 t80 -61.92 -36.86 82.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 210' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 -67.66 -25.83 65.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.91 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 211' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -75.72 -42.53 50.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.834 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 212' ' ' LYS . . . . . . . . . . . . . 11.2 ptpt -77.22 -24.99 51.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.866 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 213' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -77.92 -34.29 51.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.905 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 214' ' ' ARG . . . . . . . . . . . . . 2.2 ptm180 -74.16 -24.66 59.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.827 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 215' ' ' SER . . . . . . . . . . . . . 1.9 t -78.08 -50.47 11.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.868 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 216' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -53.54 -41.35 66.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.856 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 217' ' ' ARG . . . . . . . . . . . . . 8.0 ptm180 -68.51 -27.21 65.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.849 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 218' ' ' ILE . . . . . . . . . . . . . 61.6 mt -80.8 -38.06 16.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.204 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 219' ' ' SER . . . . . . . . . . . . . 48.2 t -135.59 115.08 12.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 220' ' ' ASN . . . . . . . . . . . . . 31.2 t30 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.831 -179.949 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 -0.052 0 CA-C-O 120.876 0.37 . . . . 0.0 111.141 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -106.63 160.2 27.11 Favored Pre-proline 0 C--N 1.331 -0.23 0 CA-C-O 121.633 0.73 . . . . 0.0 111.079 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 83.25 0.71 Allowed 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.682 2.255 . . . . 0.0 112.347 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -118.38 135.31 54.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.969 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.5 tp -98.81 102.84 14.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.881 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 58.4 36.11 25.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.14 179.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 94.97 -7.88 70.11 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.465 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -88.66 111.14 21.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.842 0.353 . . . . 0.0 111.132 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 24.9 t -93.43 -37.65 8.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.141 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 65.9 mt-10 -73.22 141.96 47.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.863 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 37.8 t80 -54.82 -51.53 65.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.896 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.8 p -52.04 -37.13 52.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.872 -179.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 83.3 m-20 -73.29 -29.98 63.09 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.861 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 97.5 t -72.01 -56.72 9.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.092 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.5 ptmt -56.43 -31.88 64.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.936 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 52.1 m -67.92 -38.45 82.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.113 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 65.2 mt -70.47 -35.44 73.31 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.86 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.8 mt -71.98 -46.68 56.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.925 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 3.5 ttpt -53.01 -43.08 66.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.836 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -76.89 -42.25 40.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.89 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 36.8 t90 -63.48 -14.84 54.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.91 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 42.8 mt -101.93 -16.26 7.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.116 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 77.5 p -100.26 -55.52 2.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.125 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 13.1 t -66.45 -16.35 64.04 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.121 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.4 mt -129.67 126.24 62.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.129 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.5 m -106.87 -25.43 11.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.774 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -113.35 78.69 3.56 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.581 0.705 . . . . 0.0 110.861 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 153.01 69.25 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.707 2.271 . . . . 0.0 112.339 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 40.6 mtm -100.38 161.04 13.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.889 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -57.53 -36.4 71.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.872 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -67.38 -50.45 59.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -55.29 -51.44 66.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.777 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 57.9 mt -63.16 -30.74 50.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.157 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 5.3 mt -66.31 -37.82 86.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.883 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 24.1 mm100 -54.11 -29.53 45.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.881 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 15.2 t -73.3 -34.65 44.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.1 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 97.4 t -62.0 -52.16 63.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.132 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 30.8 mmt180 -59.5 -25.24 64.29 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.877 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 67.8 t80 -75.55 -52.22 11.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.857 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 42.1 m -67.25 -45.91 75.31 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.884 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 38.0 p -54.03 -27.84 34.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.1 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 75.2 m-20 -73.73 -37.85 64.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.88 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -54.23 -35.84 62.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.909 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.41 HD13 HG13 ' A' ' 107' ' ' VAL . 5.2 mt -61.52 -49.3 84.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.115 179.84 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -73.18 -30.42 63.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.886 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -86.09 -2.82 58.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.964 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER 56.46 43.22 26.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.905 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -114.49 33.51 5.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.821 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 20.9 mt -57.06 -18.18 13.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.926 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 18.7 tp10 -49.85 -54.66 18.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.918 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.56 -22.75 46.73 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.954 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 38.0 tp -53.16 -52.39 58.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.12 -27.89 69.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.873 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 36.1 mt -76.17 -39.83 53.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.906 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 90.5 t -73.31 -45.95 51.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.149 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 28.8 mm -55.83 -55.16 19.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.149 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.52 -35.7 81.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.885 179.821 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 52.0 t80 -64.12 -50.34 68.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.94 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 10.7 ptp -67.76 -27.51 66.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.934 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.36 -57.22 13.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.896 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 4.7 ptm180 -53.66 -27.22 26.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 27.9 mt -81.24 -54.07 5.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.957 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 21.1 mtt -60.66 -29.41 69.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.931 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -78.21 -50.12 12.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.865 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -69.55 -18.53 63.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 7.2 m -51.67 151.37 3.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.833 -179.772 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 3.4 p -74.09 -32.06 31.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.198 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -84.57 126.62 33.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.877 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 2.2 t -71.61 -25.89 62.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.839 -179.752 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 10.8 p -55.02 -26.88 18.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.086 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 14.9 m95 -61.85 -34.84 76.71 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.961 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 7.3 m-80 -57.26 -38.78 74.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.863 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 23.2 mtm -72.47 -38.79 68.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.926 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -53.09 -45.33 68.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.061 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 39.7 t80 -56.68 -46.58 81.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.859 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 42.8 t0 -65.24 -35.64 81.66 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 28.1 t80 -60.12 -45.06 94.26 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.912 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 13.0 mt -68.58 -38.45 79.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.136 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 24.2 mt -69.49 -34.21 73.99 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.97 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -60.05 -27.57 67.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.815 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 10.8 m-80 -97.74 -39.13 9.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.849 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 78.1 t -72.65 -58.96 3.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.093 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 13.7 mm-40 -49.07 -29.33 4.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.948 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 5.6 t -70.63 -57.15 8.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.109 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.41 HG13 HD13 ' A' ' 66' ' ' ILE . 5.4 p -64.36 -25.73 38.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.108 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -74.34 -38.75 63.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.925 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 14.9 mt-30 -67.13 -41.33 86.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.926 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 45.9 mt-30 -63.86 -14.84 56.53 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.924 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 54.6 m -96.13 -60.27 1.66 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.134 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 -102.69 -42.82 5.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.917 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 111.44 -14.5 27.69 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.486 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -94.08 -175.29 3.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.854 0.359 . . . . 0.0 110.917 -179.773 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 67.2 p -152.61 176.35 11.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.13 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -92.87 136.77 32.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.932 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.22 98.9 6.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 179.799 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 3.8 m -117.99 92.94 2.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.085 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 15.4 t . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.171 179.972 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 207' ' ' LYS . . . . . . . . . . . . . 18.4 mtmt . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.785 0.326 . . . . 0.0 110.923 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 208' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -178.16 149.32 0.54 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 209' ' ' PHE . . . . . . . . . . . . . 73.7 t80 -77.39 -40.81 42.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.961 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 210' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 -63.06 -25.38 68.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.86 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 211' ' ' ASP . . . . . . . . . . . . . 15.1 t0 -74.75 -47.23 32.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.86 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 212' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -70.55 -25.33 63.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 213' ' ' LYS . . . . . . . . . . . . . 10.3 tppt? -82.95 -53.37 5.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.919 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 214' ' ' ARG . . . . . . . . . . . . . 11.8 ptp180 -53.26 -28.67 28.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.885 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 215' ' ' SER . . . . . . . . . . . . . 1.7 t -64.49 -46.31 83.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 216' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -60.68 -32.05 71.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.937 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 217' ' ' ARG . . . . . . . . . . . . . 26.5 ttt-85 -71.46 -31.44 67.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.829 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 218' ' ' ILE . . . . . . . . . . . . . 22.4 mt -77.93 -56.97 6.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.127 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 219' ' ' SER . . . . . . . . . . . . . 1.4 p -78.07 140.87 39.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.84 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 220' ' ' ASN . . . . . . . . . . . . . 10.5 m-80 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.855 179.969 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.777 0.323 . . . . 0.0 111.108 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -90.8 160.12 39.02 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.609 0.719 . . . . 0.0 111.045 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.85 96.1 0.59 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.644 2.229 . . . . 0.0 112.344 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -128.13 135.26 49.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.876 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.4 tp -103.07 110.86 22.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 55.11 28.05 10.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.086 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 95.03 13.11 54.13 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.492 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -108.12 110.47 22.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.865 0.364 . . . . 0.0 111.058 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 21.9 t -89.68 -34.02 6.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.123 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -73.15 144.64 46.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.907 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 37.0 t80 -60.19 -52.77 63.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.881 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 13.5 p -52.15 -36.48 51.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.819 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 42.1 t0 -73.8 -29.66 62.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.885 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 94.9 t -72.2 -56.28 10.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.14 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.6 ptmt -57.13 -33.51 67.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.854 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 54.2 m -65.77 -38.32 88.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.129 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 19.8 mt -70.43 -36.5 74.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.925 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 12.5 mt -71.86 -44.14 64.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.883 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 14.4 ttpt -52.0 -46.25 64.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.937 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 19.8 pt-20 -77.4 -40.6 43.08 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.83 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 32.2 t90 -63.07 -15.38 56.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.925 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 45.6 mt -102.04 -15.6 7.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.142 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 82.8 p -100.66 -56.0 2.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.113 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 13.4 t -65.9 -14.39 61.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.072 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.4 mt -130.33 128.07 63.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.122 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -107.01 -26.41 11.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.851 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -114.74 80.98 6.83 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.613 0.721 . . . . 0.0 110.844 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 149.92 67.08 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.721 2.281 . . . . 0.0 112.243 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 6.3 mtp -98.3 152.16 19.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -54.59 -28.91 49.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.952 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -71.07 -42.23 69.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.825 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -69.38 -45.77 68.51 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.895 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 54.9 mt -64.35 -32.59 58.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.209 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 8.2 mt -63.03 -39.39 94.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.872 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 8.0 mm-40 -54.11 -30.98 50.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.891 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 15.0 t -71.85 -34.5 51.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.165 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 92.4 t -65.44 -52.06 56.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.085 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 17.6 mmm180 -59.51 -25.67 64.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.827 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 59.2 t80 -75.08 -52.65 10.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.935 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 34.6 m -66.89 -45.84 76.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.859 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 36.0 p -53.81 -28.2 33.93 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.09 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 39.4 m-20 -73.85 -38.18 64.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.897 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -53.86 -30.56 46.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.965 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.411 HD12 HG11 ' A' ' 107' ' ' VAL . 5.9 mt -67.83 -47.03 81.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.201 179.798 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 37.0 mm-40 -73.12 -28.25 62.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 60.2 mm-40 -88.76 -11.22 45.63 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.895 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 48.4 mmtt 64.81 42.87 4.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.917 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -113.64 36.61 3.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.806 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 22.2 mt -57.24 -18.51 16.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.882 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 48.5 tt0 -49.91 -54.46 19.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.89 -22.19 46.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.862 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 36.7 tp -54.68 -58.01 9.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.941 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -57.21 -27.67 62.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 47.0 mt -76.6 -43.86 36.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.854 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 90.9 t -70.36 -40.18 77.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.156 179.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 32.8 mm -63.67 -55.16 24.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.141 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.405 ' HA ' ' HG2' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -63.23 -25.57 68.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.944 179.775 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 38.4 t80 -79.05 -43.53 24.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.89 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 14.2 ptp -74.94 -31.93 61.62 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.922 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.405 ' HG2' ' HA ' ' A' ' 79' ' ' LYS . 0.0 OUTLIER -70.66 -31.82 68.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.917 179.886 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 10.1 ptt85 -71.97 -29.57 64.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.863 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 17.6 mt -82.35 -55.3 4.59 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.943 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 37.2 mtt -55.23 -26.53 40.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.864 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 59.4 mt-30 -80.21 -51.12 9.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.962 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -71.04 -10.04 59.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.923 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -55.66 177.05 0.05 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 -179.81 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 3.1 p -96.97 -32.73 4.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.161 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -85.5 125.73 33.28 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.916 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 5.4 p -66.82 -27.54 67.64 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 6.9 p -54.93 -27.41 18.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.169 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 11.1 m95 -63.29 -34.15 77.05 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.973 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 11.6 m-80 -57.82 -42.24 83.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.912 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 23.9 mtm -72.59 -38.09 67.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -53.15 -43.29 66.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.075 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 24.4 t80 -61.28 -41.98 97.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.819 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -67.82 -33.61 75.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.847 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 31.6 t80 -59.13 -45.27 91.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.855 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 6.0 mt -67.5 -42.41 86.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.188 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 7.0 mt -66.2 -35.0 79.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.955 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -60.24 -27.77 67.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.877 179.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 13.7 m-80 -98.33 -37.8 9.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 84.1 t -74.57 -59.83 2.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.099 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 8.3 mm-40 -49.0 -28.88 4.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.905 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 3.9 t -70.9 -57.14 8.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.124 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.411 HG11 HD12 ' A' ' 66' ' ' ILE . 5.9 p -63.95 -25.15 37.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.136 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -74.09 -39.24 63.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 17.5 mt-30 -66.23 -41.09 90.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.951 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 -64.09 -14.95 58.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.87 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 53.2 m -95.77 -60.95 1.54 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.142 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 -101.33 -43.18 6.03 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.952 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 104.98 42.42 1.8 Allowed Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.502 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 3.0 m -153.04 178.31 9.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.0 0.429 . . . . 0.0 110.855 -179.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 58.7 p -151.74 145.01 24.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.193 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -52.93 155.16 2.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.886 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -111.61 99.1 7.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.967 179.773 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 5.8 m -111.12 110.95 34.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.143 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 10.2 t . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.14 -179.944 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 207' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.733 0.301 . . . . 0.0 110.926 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 208' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -168.73 151.35 5.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.835 -179.861 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 209' ' ' PHE . . . . . . . . . . . . . 82.7 t80 -67.69 -43.17 80.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.846 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 210' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 -60.37 -24.38 65.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 211' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -76.83 -44.26 33.08 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.808 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 212' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -77.29 -19.16 56.84 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.918 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 213' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -84.89 -44.0 13.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.935 179.855 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 214' ' ' ARG . . . . . . . . . . . . . 7.6 ptm180 -56.04 -25.34 44.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.858 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 215' ' ' SER . . . . . . . . . . . . . 29.4 t -73.85 -25.87 60.28 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 216' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -53.75 -57.26 11.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.902 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 217' ' ' ARG . . . . . . . . . . . . . 2.8 ptt85 -57.78 -31.85 66.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.835 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 218' ' ' ILE . . . . . . . . . . . . . 74.6 mt -67.15 -24.01 31.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.129 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 219' ' ' SER . . . . . . . . . . . . . 5.2 t -118.55 -171.46 2.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 220' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.901 -179.997 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.096 0 CA-C-O 120.708 0.29 . . . . 0.0 111.045 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -115.33 160.38 34.51 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.568 0.699 . . . . 0.0 111.072 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 91.63 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.629 2.219 . . . . 0.0 112.388 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -123.83 145.82 48.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.857 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 12.8 tp -102.56 113.76 27.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.916 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 55.58 27.26 10.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.097 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 95.04 12.99 54.5 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.516 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -104.6 117.83 35.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.778 0.323 . . . . 0.0 111.058 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 31.6 t -94.58 -40.57 11.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.136 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -69.81 136.3 50.64 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.886 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 48.4 t80 -55.19 -49.78 71.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.849 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -51.74 -37.8 52.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.871 -179.825 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -74.16 -29.57 61.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.861 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 93.0 t -71.57 -57.25 7.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.186 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 6.5 pttt -56.48 -31.87 64.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.936 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 53.8 m -67.74 -38.75 83.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.149 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 10.8 mt -69.72 -36.06 75.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.904 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 10.2 mt -72.05 -45.97 58.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.938 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 11.1 ttpt -52.94 -42.88 65.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.907 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -77.21 -41.97 39.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.915 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 35.8 t90 -63.14 -15.41 56.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.928 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 40.0 mt -101.93 -13.69 8.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.125 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 71.4 p -103.65 -56.14 2.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.08 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 13.1 t -64.92 -15.98 62.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.181 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.2 mt -127.35 130.36 70.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.078 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 58.6 m -107.39 -28.92 9.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.872 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -111.24 81.42 2.88 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.609 0.719 . . . . 0.0 110.898 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.85 138.49 37.65 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.663 2.242 . . . . 0.0 112.329 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 49.9 mtm -85.92 157.43 20.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -58.21 -40.24 81.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.898 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 39.6 tp10 -65.27 -46.76 79.18 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -57.39 -50.48 72.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.908 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 60.4 mt -64.43 -31.42 53.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.163 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.5 mt -63.19 -39.34 94.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.919 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 15.2 mm-40 -53.87 -32.28 52.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 16.1 t -71.0 -34.51 55.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.08 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 82.0 t -62.19 -51.68 69.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.159 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 12.8 mmm180 -58.85 -25.6 63.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.854 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 69.2 t80 -74.71 -52.69 10.91 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.916 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 67.5 m -67.75 -46.12 72.99 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.828 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 74.5 p -55.09 -26.61 39.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.12 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 40.6 m-20 -73.55 -38.42 65.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.886 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.8 mp -54.47 -31.84 56.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.946 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.413 HG12 ' HB2' ' A' ' 108' ' ' LEU . 3.7 mt -65.41 -46.46 90.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.176 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 52.4 mm-40 -73.92 -34.04 64.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.846 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 39.2 mm-40 -82.36 -10.23 59.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 51.4 mmtt 65.08 40.08 5.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 22.8 m-20 -111.52 36.86 3.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.849 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 25.2 mt -53.81 -23.3 11.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.937 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -50.24 -49.33 53.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.928 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 5.0 mtpt -78.87 -22.7 45.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.864 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 23.9 tp -57.41 -55.6 32.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.956 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -59.02 -26.68 64.77 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.881 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 45.4 mt -76.93 -49.19 16.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.939 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 88.6 t -68.27 -38.3 79.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.157 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 29.5 mm -67.07 -53.37 34.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.118 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.426 ' HA ' ' HG2' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -64.3 -25.16 67.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.942 179.826 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 38.7 t80 -81.03 -43.48 19.51 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.908 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 14.5 ptp -74.37 -32.5 62.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.95 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.426 ' HG2' ' HA ' ' A' ' 79' ' ' LYS . 0.0 OUTLIER -70.68 -32.34 69.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.87 179.923 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 2.4 ptm180 -71.14 -28.72 64.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.805 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 17.0 mt -82.6 -53.3 6.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.923 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 25.3 mtt -57.46 -29.22 64.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -78.25 -50.56 11.64 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.899 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -70.51 -10.61 59.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.916 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 5.1 m -55.08 176.98 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.886 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 2.7 p -99.64 -31.62 3.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.128 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 35.4 mp0 -83.47 132.35 34.96 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.909 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.2 m -71.51 -25.65 62.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.85 -179.781 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 9.5 p -61.11 -25.06 35.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.079 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 8.7 m95 -66.48 -34.14 77.25 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.002 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -58.13 -41.38 83.52 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.935 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 22.7 mtm -72.83 -34.07 66.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.855 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -53.49 -46.06 69.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.095 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 25.4 t80 -61.29 -38.86 88.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.864 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -68.81 -34.1 74.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.888 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 38.2 t80 -58.89 -48.58 80.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.896 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 5.2 mt -63.77 -41.48 92.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.115 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 22.6 mt -67.64 -33.05 74.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.972 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -60.96 -29.64 69.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.84 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 17.1 m-80 -98.31 -34.85 10.52 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.923 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 81.2 t -76.2 -60.78 2.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.095 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 16.0 mm-40 -49.36 -29.24 5.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.896 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 3.0 t -69.29 -55.6 14.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.145 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 7.0 p -66.52 -25.14 34.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.07 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.413 ' HB2' HG12 ' A' ' 66' ' ' ILE . 0.1 OUTLIER -74.39 -39.29 62.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.932 179.939 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 21.4 mt-30 -66.55 -40.85 89.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.958 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 44.3 mt-30 -64.41 -14.83 58.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 68.5 m -95.53 -59.66 1.83 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.22 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -104.47 -42.59 5.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.933 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 110.97 -14.39 28.9 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.468 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 23.1 m -94.32 -172.65 2.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.902 0.382 . . . . 0.0 110.9 -179.731 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 69.9 p -152.58 -177.91 6.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.112 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -90.36 155.88 18.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.966 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.09 95.65 6.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.873 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 4.1 m -118.73 92.23 2.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.146 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.223 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 207' ' ' LYS . . . . . . . . . . . . . 8.9 tptm . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.802 0.334 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 208' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -179.37 140.9 0.16 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.819 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 209' ' ' PHE . . . . . . . . . . . . . 83.7 t80 -55.99 -47.32 77.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.874 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 210' ' ' PHE . . . . . . . . . . . . . 38.2 m-85 -61.63 -28.42 69.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.858 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 211' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -72.83 -43.17 62.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.89 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 212' ' ' LYS . . . . . . . . . . . . . 8.1 ptpp? -77.48 -21.52 52.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.83 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 213' ' ' LYS . . . . . . . . . . . . . 5.2 tppt? -87.34 -49.71 7.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.876 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 214' ' ' ARG . . . . . . . . . . . . . 8.1 ptm180 -53.34 -33.96 55.59 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 215' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -55.22 -55.83 26.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.845 -179.831 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 216' ' ' GLU . . . . . . . . . . . . . 76.5 mt-10 -62.6 -30.86 71.65 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.854 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 217' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.95 -42.39 81.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.825 -179.874 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 218' ' ' ILE . . . . . . . . . . . . . 7.2 mt -56.57 -33.42 39.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.107 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 219' ' ' SER . . . . . . . . . . . . . 47.7 t -81.77 144.3 31.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.831 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 220' ' ' ASN . . . . . . . . . . . . . 28.7 m-20 . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.871 179.994 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.083 0 CA-C-O 120.788 0.328 . . . . 0.0 111.149 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -119.33 160.41 41.66 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.577 0.703 . . . . 0.0 111.142 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 83.72 0.68 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.716 2.277 . . . . 0.0 112.341 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -120.58 135.74 55.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.896 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 13.6 tp -103.52 117.36 34.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.928 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 53.84 35.81 22.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.102 179.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 82.14 12.9 80.18 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.517 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -108.44 113.61 26.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.801 0.334 . . . . 0.0 111.062 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 20.3 t -92.34 -40.44 12.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.199 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -70.02 134.7 48.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.893 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 29.7 t80 -52.43 -53.07 50.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.882 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 74.9 p -50.31 -32.5 17.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -80.27 -35.39 36.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.833 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 88.5 t -64.81 -57.36 11.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.111 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 7.5 pttt -53.28 -30.41 38.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.913 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 88.2 m -62.66 -39.6 94.44 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.134 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 12.7 mt -68.45 -38.77 81.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.907 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 8.6 mt -68.15 -46.47 70.7 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.923 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 15.5 ttpt -53.16 -45.14 68.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.893 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -77.31 -39.78 46.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.953 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 35.1 t90 -63.92 -14.13 51.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.893 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 34.5 mt -104.14 -13.34 8.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.086 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 80.5 p -103.04 -55.45 2.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.121 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 12.7 t -69.79 -19.03 63.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.196 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.5 mt -127.11 125.93 67.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.149 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.2 p -107.19 -24.24 11.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.82 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -118.91 82.0 20.32 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.568 0.699 . . . . 0.0 110.853 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.86 154.24 67.55 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.634 2.223 . . . . 0.0 112.298 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 15.8 ttp -92.45 155.05 18.11 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.897 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -51.53 -39.68 58.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.912 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 29.5 mm-40 -68.69 -44.36 74.14 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.93 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -55.54 -51.24 67.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.879 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 56.5 mt -63.13 -30.93 50.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.09 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 5.2 mt -67.23 -37.22 83.22 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.908 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 43.2 mm-40 -54.04 -33.68 57.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 10.7 t -70.43 -34.6 58.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.153 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 93.1 t -63.76 -47.87 89.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.103 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -62.01 -30.33 70.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.866 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 67.3 t80 -72.28 -50.34 27.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.913 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 46.4 m -67.56 -46.75 71.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.895 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 36.4 p -54.44 -28.36 43.66 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.119 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 48.5 m-20 -73.71 -37.62 65.1 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.815 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -54.15 -30.91 50.93 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.404 HD13 HG13 ' A' ' 107' ' ' VAL . 5.3 mt -67.14 -49.41 73.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.117 179.845 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -73.21 -26.73 61.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.869 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -88.45 -10.88 47.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.4 mmmt 64.02 43.38 5.21 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.884 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 58.4 m-20 -115.12 35.61 4.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.826 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 22.3 mt -57.37 -18.2 16.35 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.874 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -49.96 -54.58 18.95 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.79 -22.74 45.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.905 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 37.5 tp -54.09 -58.37 7.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.887 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -57.84 -26.84 62.59 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.838 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 61.4 mt -76.48 -42.8 42.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 93.7 t -70.74 -43.15 77.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.131 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 30.9 mm -56.4 -57.66 8.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.119 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.97 -36.28 82.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.955 179.828 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 56.2 t80 -62.59 -50.91 69.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.904 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 8.9 ptp -67.69 -26.67 66.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.924 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.6 -58.58 6.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 3.6 ptm180 -52.12 -28.35 17.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.907 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 46.3 mt -81.55 -54.49 5.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 22.1 mtt -58.62 -30.08 66.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.879 179.792 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 21.0 mm-40 -78.94 -53.92 6.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.949 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -66.02 -15.51 63.09 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.93 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -53.46 172.68 0.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 -179.758 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 3.2 p -96.36 -32.82 4.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.191 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -85.89 112.84 21.53 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.85 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.1 t -57.51 -25.33 59.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.795 -179.767 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 9.3 p -54.24 -27.07 16.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.155 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 13.1 m95 -64.37 -37.74 88.57 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.932 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 6.3 m-80 -55.74 -39.2 70.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.881 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 21.9 mtm -72.48 -38.85 68.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -53.33 -43.47 67.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.013 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 38.1 t80 -56.63 -49.56 74.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.945 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -63.19 -36.21 82.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.849 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 24.1 t80 -59.95 -46.13 90.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.865 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 19.0 mt -67.45 -38.37 80.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.143 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 21.8 mt -69.87 -34.31 73.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.961 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -59.86 -26.79 66.13 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 179.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 39.1 m-80 -97.68 -40.6 8.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.88 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 77.8 t -71.61 -58.88 4.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.115 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 13.8 mm-40 -49.0 -29.39 4.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.944 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 6.1 t -71.23 -56.45 10.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.171 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.404 HG13 HD13 ' A' ' 66' ' ' ILE . 5.8 p -64.79 -25.78 38.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.167 179.818 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -74.41 -38.61 63.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.929 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -67.27 -40.89 86.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.93 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 51.2 mt-30 -63.92 -14.97 57.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.929 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 57.1 m -95.93 -60.92 1.54 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.072 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -101.89 -42.74 6.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.917 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 111.59 -14.53 27.3 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.56 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.1 t -94.0 -176.09 3.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.938 0.399 . . . . 0.0 110.867 -179.752 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 71.8 p -152.34 -177.85 6.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.169 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -97.71 144.54 27.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.08 97.61 10.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.953 179.793 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 6.1 m -117.2 107.77 23.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.169 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 14.5 t . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.14 -179.963 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 207' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.842 0.353 . . . . 0.0 110.937 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 208' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -84.39 121.94 28.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.853 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 209' ' ' PHE . . . . . . . . . . . . . 41.0 t80 -51.95 -45.48 64.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.856 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 210' ' ' PHE . . . . . . . . . . . . . 64.7 m-85 -59.75 -27.36 66.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.847 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 211' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -73.18 -44.37 59.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.899 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 212' ' ' LYS . . . . . . . . . . . . . 5.4 pttt -78.0 -18.24 56.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.866 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 213' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.64 -41.49 11.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.858 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 214' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -62.4 -24.69 67.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.855 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 215' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -79.26 -55.64 4.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.816 -179.75 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 216' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -53.52 -46.18 70.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.936 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 217' ' ' ARG . . . . . . . . . . . . . 4.7 ptm180 -51.72 -29.99 20.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.819 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 218' ' ' ILE . . . . . . . . . . . . . 44.9 mt -77.43 -35.33 21.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.106 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 219' ' ' SER . . . . . . . . . . . . . 93.6 p -93.79 50.18 1.42 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.864 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 220' ' ' ASN . . . . . . . . . . . . . 10.7 p-10 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.895 -179.967 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.866 0.365 . . . . 0.0 111.125 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -103.9 160.14 27.06 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.563 0.697 . . . . 0.0 111.106 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 94.5 0.53 Allowed 'Trans proline' 0 C--N 1.34 0.118 0 C-N-CA 122.74 2.293 . . . . 0.0 112.339 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -124.77 142.16 51.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.9 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.6 tp -102.18 113.39 26.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.915 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 55.87 26.73 10.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.148 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 95.03 13.04 54.37 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.54 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -104.92 118.58 36.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.823 0.344 . . . . 0.0 111.12 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 21.7 t -94.17 -44.27 13.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.077 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -66.47 139.88 57.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.893 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 44.4 t80 -57.72 -50.35 73.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.913 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -51.84 -37.53 52.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.792 -179.822 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -74.24 -29.43 61.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.911 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 94.3 t -71.68 -56.84 8.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.108 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 6.2 pttt -56.95 -31.49 65.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 54.8 m -67.09 -40.29 86.94 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.175 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 14.5 mt -69.38 -34.62 74.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 15.0 mt -72.19 -47.31 51.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.986 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 13.1 ttpt -52.66 -42.4 64.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 179.798 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -77.5 -41.94 37.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.879 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 39.1 t90 -63.37 -15.6 57.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.876 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 37.6 mt -101.47 -13.24 8.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.155 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 74.0 p -104.06 -55.76 2.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.144 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 13.4 t -66.01 -16.94 64.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.092 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.3 mt -127.97 127.55 68.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.135 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 37.5 m -106.95 -24.46 12.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.836 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -116.03 81.15 9.78 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.562 0.696 . . . . 0.0 110.864 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 147.27 62.7 Favored 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.747 2.298 . . . . 0.0 112.328 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 10.2 ttp -91.93 155.12 18.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.86 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -52.47 -39.7 61.44 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.898 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -66.36 -45.0 81.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.894 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -57.28 -49.1 77.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.888 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 50.1 mt -66.2 -30.79 51.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.078 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 8.9 mt -63.51 -40.73 97.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.851 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 7.5 mm-40 -54.3 -32.64 56.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.917 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 15.3 t -70.85 -34.88 57.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.076 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 95.4 t -65.39 -51.59 62.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.141 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 16.7 mmt180 -60.89 -25.25 66.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.819 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 67.5 t80 -75.62 -51.86 11.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 -179.769 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 62.2 m -68.62 -45.71 71.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.913 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 52.9 p -56.28 -25.55 48.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.177 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 46.6 m-20 -73.53 -37.64 65.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.862 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.6 mp -54.63 -32.98 59.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.892 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 3.0 mt -64.58 -43.66 96.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.108 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -74.23 -35.5 63.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.901 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 59.1 mm-40 -83.03 -8.77 59.51 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.926 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 27.0 mmtt 64.91 39.71 5.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.887 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -111.02 36.86 3.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.923 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 24.7 mt -53.82 -23.22 11.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.919 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -50.36 -48.84 55.55 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.871 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.9 mtpp -78.75 -22.59 46.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.907 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 24.3 tp -57.86 -57.46 12.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.864 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -57.33 -26.88 61.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.831 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 42.8 mt -76.96 -49.57 15.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.886 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 91.3 t -67.73 -36.13 74.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.111 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 30.2 mm -69.15 -53.89 23.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.17 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.425 ' HA ' ' HG2' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -63.83 -25.37 68.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.873 179.809 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 37.2 t80 -80.93 -43.38 19.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.875 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 14.1 ptp -74.35 -32.35 62.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.866 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.425 ' HG2' ' HA ' ' A' ' 79' ' ' LYS . 0.0 OUTLIER -71.13 -31.93 68.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.91 179.955 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 2.4 ptm180 -71.11 -29.03 64.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.868 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 15.4 mt -82.44 -54.92 4.82 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.925 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 29.4 mtt -55.65 -29.93 60.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.861 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 58.5 mt-30 -77.26 -55.18 5.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.948 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -64.73 -15.49 61.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.917 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 24.6 p -51.91 161.69 0.54 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.851 -179.751 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 2.3 m -83.71 -25.97 7.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.146 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -94.21 125.31 38.77 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.93 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 36.5 p -67.94 -24.42 65.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.855 -179.762 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 34.2 m -57.47 -22.85 18.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.097 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 7.6 m95 -72.43 -34.4 67.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -57.77 -38.03 74.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.931 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 18.5 mtm -72.63 -38.75 67.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.898 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -53.18 -38.71 63.07 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.109 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 25.9 t80 -64.56 -45.84 85.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.946 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 24.3 t0 -61.96 -36.53 81.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.942 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 33.1 t80 -56.38 -49.04 75.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.881 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 6.0 mt -62.7 -42.87 97.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.128 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 35.5 mt -66.53 -31.49 72.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.977 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -60.92 -31.34 70.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.943 179.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 8.2 m-80 -98.09 -32.67 11.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.858 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 83.8 t -77.11 -61.54 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.171 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 17.6 mm-40 -49.52 -29.94 7.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.886 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 3.8 t -71.22 -52.93 23.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.138 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 9.4 p -68.38 -26.02 32.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.091 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -73.65 -38.47 64.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -66.32 -41.1 90.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.944 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -64.31 -14.87 58.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.949 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 68.8 m -95.61 -59.52 1.85 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.183 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 11.7 m-85 -104.08 -42.86 5.42 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.909 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 111.5 -14.52 27.55 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.521 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 74.8 p -94.37 -174.22 3.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.911 0.386 . . . . 0.0 110.84 -179.664 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 66.5 p -152.7 -178.0 6.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.075 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -95.91 153.19 17.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.951 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.43 100.68 10.25 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 4.2 m -118.59 95.5 3.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.128 179.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.114 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 207' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.833 0.349 . . . . 0.0 110.837 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 208' ' ' SER . . . . . . . . . . . . . 1.1 t -80.24 113.63 18.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.85 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 209' ' ' PHE . . . . . . . . . . . . . 76.0 t80 -53.0 -37.7 61.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.85 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 210' ' ' PHE . . . . . . . . . . . . . 31.8 m-85 -67.54 -29.19 68.52 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.827 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 211' ' ' ASP . . . . . . . . . . . . . 29.7 m-20 -75.73 -43.5 46.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.879 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 212' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -77.47 -20.01 55.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.847 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 213' ' ' LYS . . . . . . . . . . . . . 11.5 tptt -86.38 -46.41 10.28 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.869 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 214' ' ' ARG . . . . . . . . . . . . . 26.1 ptt85 -55.59 -27.63 50.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 215' ' ' SER . . . . . . . . . . . . . 12.8 t -76.65 -26.39 54.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 216' ' ' GLU . . . . . . . . . . . . . 51.0 mm-40 -65.94 -56.88 9.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.922 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 217' ' ' ARG . . . . . . . . . . . . . 3.7 ptp85 -54.06 -36.64 63.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.897 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 218' ' ' ILE . . . . . . . . . . . . . 54.9 mt -70.28 -25.15 26.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.178 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 219' ' ' SER . . . . . . . . . . . . . 5.1 p -109.81 -175.92 2.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.834 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 220' ' ' ASN . . . . . . . . . . . . . 52.5 t30 . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.894 -179.975 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.825 0.345 . . . . 0.0 111.131 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -106.03 160.32 26.56 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.57 0.7 . . . . 0.0 111.073 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 93.87 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.701 2.267 . . . . 0.0 112.363 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -124.51 135.08 52.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.875 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 19.0 tp -105.39 108.9 20.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.93 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 58.82 28.7 17.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.12 179.79 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 95.13 4.66 61.17 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.472 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -100.68 115.91 31.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.794 0.33 . . . . 0.0 111.123 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 21.8 t -93.39 -38.04 9.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.14 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 67.7 mt-10 -71.76 141.35 49.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.892 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 35.3 t80 -56.12 -51.45 67.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.897 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 10.9 p -51.61 -37.4 49.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.843 -179.783 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 81.5 m-20 -74.01 -29.58 62.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.797 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 97.8 t -72.15 -56.24 10.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.165 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.7 ptmt -57.16 -34.16 68.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.879 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 53.1 m -65.53 -37.7 87.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.169 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 30.8 mt -70.52 -35.66 73.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.924 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.4 mt -71.91 -46.96 55.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 6.3 ttpt -52.94 -42.8 65.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.952 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 25.2 pt-20 -76.86 -42.31 40.53 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.942 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 34.9 t90 -63.53 -14.85 55.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.919 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 41.1 mt -102.24 -14.64 8.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.118 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 76.5 p -102.48 -56.24 2.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.132 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 12.8 t -65.6 -16.48 63.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.179 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.4 mt -128.18 130.31 69.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.102 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 9.0 m -106.61 -24.5 12.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.836 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -115.53 80.43 8.03 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.578 0.704 . . . . 0.0 110.899 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 139.93 41.45 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.678 2.252 . . . . 0.0 112.287 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 65.6 mtm -85.55 159.8 19.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.856 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -57.39 -59.92 4.42 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.902 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -51.84 -46.24 64.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.885 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -55.07 -38.81 68.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.855 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 20.1 mt -72.79 -49.93 36.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.147 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -49.79 -28.29 6.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.94 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 22.1 mt-30 -55.91 -36.92 68.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.866 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.1 m -73.27 -31.0 32.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.114 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 87.2 t -59.1 -52.1 64.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.172 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 23.2 mmm180 -58.34 -29.15 65.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.901 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 56.5 t80 -71.55 -54.82 9.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 44.1 m -65.0 -47.3 78.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.882 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 49.4 p -57.23 -26.41 60.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.157 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -73.34 -37.82 65.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.832 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.8 mp -54.34 -34.59 61.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.964 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.407 HG12 ' HB2' ' A' ' 108' ' ' LEU . 3.1 mt -62.53 -44.34 99.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.154 179.864 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 38.4 mm-40 -73.99 -35.11 64.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.93 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 60.3 mm-40 -82.87 -7.34 59.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.868 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 4.0 mmmm 63.95 38.5 8.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.909 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -111.29 37.19 2.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.873 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 22.1 mt -53.96 -23.39 12.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.933 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -50.34 -46.18 55.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.936 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 14.0 mtpt -79.0 -22.86 44.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.921 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 23.4 tp -57.36 -61.91 2.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -54.21 -26.76 30.19 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.874 179.794 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 53.7 mt -76.66 -45.95 27.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.983 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 86.5 t -69.8 -38.98 77.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.071 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 34.8 mm -63.92 -57.47 11.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.187 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.68 -32.26 71.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.882 179.805 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 57.5 t80 -68.43 -53.46 23.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.949 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 11.4 ptp -65.77 -27.38 68.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.76 -57.61 11.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.88 -27.18 28.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.856 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 26.7 mt -80.99 -54.72 5.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.982 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 27.7 mtt -60.83 -29.13 69.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.842 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 21.3 mm-40 -78.22 -50.67 11.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.871 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -67.47 -15.12 63.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.904 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 37.3 p -51.94 152.65 2.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.826 -179.755 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 2.6 m -76.71 -26.02 16.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.123 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 32.3 mm-40 -98.94 131.68 44.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 2.2 t -71.77 -18.92 62.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.875 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 13.7 p -56.4 -24.4 18.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.133 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 46.8 m95 -71.94 -34.28 68.91 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.901 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -59.62 -37.09 77.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.858 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 15.1 mtm -72.33 -39.84 67.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.861 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -53.84 -44.29 70.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.076 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 45.2 t80 -55.25 -55.06 35.69 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 19.5 t0 -57.3 -41.33 79.64 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.856 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 52.3 t80 -54.61 -47.97 72.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.895 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 11.2 mt -62.81 -46.13 97.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.158 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 34.8 mt -62.22 -27.57 69.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.879 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.28 -30.39 71.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.851 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -97.41 -33.03 11.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.852 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 79.1 t -77.03 -60.55 2.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.154 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 17.0 mm-40 -49.55 -29.9 7.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.907 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 4.6 t -71.01 -54.43 17.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.182 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 7.4 p -66.91 -25.91 35.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.173 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.407 ' HB2' HG12 ' A' ' 66' ' ' ILE . 0.1 OUTLIER -73.9 -39.07 64.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.968 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 16.5 mt-30 -66.09 -41.31 90.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.909 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -63.9 -15.11 58.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.93 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 59.8 m -95.53 -60.67 1.61 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.165 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 -102.35 -42.86 5.86 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 111.59 -14.61 27.29 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.528 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 49.3 m -94.79 -173.73 3.08 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.883 0.373 . . . . 0.0 110.879 -179.704 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 67.3 p -152.6 176.55 11.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.127 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -89.6 149.53 22.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.901 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.64 95.92 10.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.861 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 4.1 m -119.01 93.14 2.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.143 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.177 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 207' ' ' LYS . . . . . . . . . . . . . 1.1 tmmm? . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.775 0.321 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 208' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -176.24 137.4 0.3 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.787 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 209' ' ' PHE . . . . . . . . . . . . . 74.8 t80 -54.99 -45.04 75.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.873 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 210' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -63.24 -28.61 70.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.857 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 211' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -71.64 -46.95 57.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.851 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 212' ' ' LYS . . . . . . . . . . . . . 10.4 ptmm? -71.58 -23.77 61.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.929 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 213' ' ' LYS . . . . . . . . . . . . . 4.9 tppt? -82.47 -45.21 15.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.918 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 214' ' ' ARG . . . . . . . . . . . . . 4.7 ptm180 -64.67 -30.76 71.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.826 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 215' ' ' SER . . . . . . . . . . . . . 22.2 t -70.26 -25.68 63.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.808 -179.722 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 216' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -56.49 -57.3 12.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.906 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 217' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.93 -39.84 83.41 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.864 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 218' ' ' ILE . . . . . . . . . . . . . 59.3 mt -63.59 -23.72 34.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.13 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 219' ' ' SER . . . . . . . . . . . . . 40.9 t -92.59 139.15 30.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.889 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 220' ' ' ASN . . . . . . . . . . . . . 39.4 m-80 . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.885 -179.986 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.091 0 CA-C-O 120.821 0.344 . . . . 0.0 111.065 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -120.37 159.83 46.17 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.63 0.729 . . . . 0.0 111.072 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 96.11 0.58 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.67 2.247 . . . . 0.0 112.378 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -125.17 143.44 50.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.893 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 12.7 tp -104.33 111.95 24.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.925 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 54.76 28.52 10.34 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.061 179.754 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 95.12 12.99 54.22 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.758 -0.735 . . . . 0.0 112.563 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -105.86 115.76 30.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.843 0.354 . . . . 0.0 111.05 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 30.2 t -91.88 -45.71 14.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.145 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -68.44 146.03 53.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.936 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 37.3 t80 -59.5 -50.56 73.45 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.86 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 4.9 m -51.69 -37.81 52.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.836 -179.77 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 30.4 m-20 -72.64 -29.71 63.68 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.877 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 46.7 t -71.97 -57.1 8.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.16 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 4.0 ptmt -56.16 -33.69 65.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.939 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 54.1 m -63.84 -40.94 97.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.152 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 14.3 mt -70.45 -34.0 71.95 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.956 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 15.4 mt -72.18 -46.84 54.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.896 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 8.6 ttpt -52.68 -42.69 64.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.971 179.751 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -77.39 -41.63 39.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.884 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 36.9 t90 -63.45 -15.37 57.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.934 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 35.9 mt -101.87 -13.97 8.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.183 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 70.3 p -103.15 -56.1 2.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.185 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 13.2 t -65.1 -16.17 63.19 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.122 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.2 mt -127.42 130.69 70.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.093 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -107.2 -29.86 9.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.866 -179.881 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -112.69 81.36 4.26 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.617 0.722 . . . . 0.0 110.889 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 134.88 28.99 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.74 2.293 . . . . 0.0 112.335 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 20.0 mtp -82.07 150.64 27.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.844 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -52.35 -34.7 48.67 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -66.59 -50.06 64.3 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.874 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -58.01 -46.62 84.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.88 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 57.5 mt -63.87 -31.98 55.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.08 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.0 mt -63.08 -38.56 91.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.907 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 5.3 mm100 -54.02 -31.61 51.72 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.949 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 12.9 t -71.88 -35.26 54.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.121 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 88.2 t -65.58 -52.55 49.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.165 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 21.2 mmt85 -59.08 -25.63 63.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.904 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 75.0 t80 -75.45 -52.15 11.37 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.909 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 63.6 m -67.06 -45.99 75.69 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.824 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 35.3 p -53.3 -28.25 27.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.158 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 35.4 m-20 -73.85 -38.24 64.54 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.884 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -54.21 -31.82 54.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.414 HD12 HG13 ' A' ' 107' ' ' VAL . 5.8 mt -66.32 -47.85 82.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.128 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -73.2 -29.27 62.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.893 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 37.7 mm-40 -86.88 -10.47 53.31 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.856 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 5.8 mmtm 64.31 42.7 5.15 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.852 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -114.57 36.41 3.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.919 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 22.5 mt -57.15 -18.41 15.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.925 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 47.1 tt0 -49.9 -54.32 20.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.915 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.83 -22.14 46.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.907 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 35.0 tp -55.19 -59.02 5.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.882 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -55.44 -28.3 53.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.885 179.829 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 40.5 mt -76.4 -44.77 34.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.904 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 86.9 t -70.19 -33.93 56.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.064 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 31.2 mm -69.82 -54.54 18.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.113 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.428 ' HA ' ' HG2' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -63.89 -25.0 67.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.86 179.866 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 37.3 t80 -80.72 -43.52 20.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.911 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 13.4 ptp -74.67 -31.74 62.02 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.869 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.428 ' HG2' ' HA ' ' A' ' 79' ' ' LYS . 0.0 OUTLIER -71.47 -32.06 67.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.903 179.935 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 2.4 ptm180 -71.19 -29.73 65.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.822 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 18.5 mt -82.31 -51.59 7.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 34.9 mtt -59.1 -27.29 65.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.856 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 51.7 mt-30 -78.5 -48.31 15.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.943 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -73.53 -13.54 61.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.966 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 6.9 m -51.9 152.65 2.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.838 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 3.3 p -71.16 -32.78 48.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.104 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 45.1 mp0 -86.14 130.99 34.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.918 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 32.4 t -71.64 -27.7 63.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.874 -179.79 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 25.5 m -56.52 -29.48 29.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.124 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 11.6 m95 -59.88 -33.8 72.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.938 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 12.8 m-80 -58.56 -39.17 79.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.922 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 28.8 mtm -72.5 -36.89 68.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.875 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -53.09 -43.93 67.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.082 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 23.0 t80 -60.34 -42.3 95.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.865 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -67.59 -34.6 77.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.888 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 31.7 t80 -58.27 -42.75 87.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.809 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 6.2 mt -70.83 -39.75 75.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.15 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 22.9 mt -67.37 -35.69 79.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.841 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -60.03 -27.35 66.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.848 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 7.1 m-80 -98.33 -38.63 9.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 84.3 t -73.8 -59.51 3.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.134 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 13.6 mm-40 -48.92 -29.07 4.31 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.925 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 4.1 t -70.38 -56.99 9.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.179 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.414 HG13 HD12 ' A' ' 66' ' ' ILE . 5.0 p -64.64 -25.58 38.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.125 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -74.05 -39.17 63.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.876 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 21.6 mt-30 -66.03 -41.32 91.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.955 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 43.9 mt-30 -63.66 -15.4 58.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.931 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 64.6 m -95.73 -59.76 1.79 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.19 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -103.34 -43.14 5.51 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.884 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 110.69 -14.42 29.62 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.522 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 89.7 p -95.31 -172.85 2.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.952 0.406 . . . . 0.0 110.901 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 72.4 p -152.29 -178.1 6.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.182 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -93.12 155.56 17.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.941 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.87 95.24 6.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.892 179.837 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 3.7 m -118.61 92.13 2.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.069 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.14 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 207' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.818 0.342 . . . . 0.0 110.958 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 208' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -179.37 159.13 0.9 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.916 -179.831 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 209' ' ' PHE . . . . . . . . . . . . . 74.8 t80 -76.06 -38.8 56.66 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 210' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 -66.28 -25.89 67.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.931 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 211' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -72.56 -44.94 61.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.859 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 212' ' ' LYS . . . . . . . . . . . . . 8.0 ptpp? -71.55 -25.0 62.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 213' ' ' LYS . . . . . . . . . . . . . 15.2 tppt? -79.74 -50.37 10.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.924 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 214' ' ' ARG . . . . . . . . . . . . . 21.8 ptt180 -55.08 -26.55 38.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.89 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 215' ' ' SER . . . . . . . . . . . . . 37.5 m -57.86 -26.7 62.44 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.856 -179.794 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 216' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -62.69 -38.41 90.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.925 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 217' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -77.2 -28.04 53.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.84 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 218' ' ' ILE . . . . . . . . . . . . . 60.1 mt -75.37 -57.04 7.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.078 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 219' ' ' SER . . . . . . . . . . . . . 29.2 p -118.06 109.17 16.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.889 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 220' ' ' ASN . . . . . . . . . . . . . 40.0 p30 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.93 -179.987 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.773 0.32 . . . . 0.0 111.117 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -98.4 160.34 28.38 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.639 0.733 . . . . 0.0 111.023 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 98.59 0.69 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.776 2.317 . . . . 0.0 112.341 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -125.94 144.24 50.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.869 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 15.4 tp -106.23 114.53 28.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.925 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 56.68 27.4 12.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.088 179.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 92.91 13.03 57.16 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.509 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -104.93 119.71 39.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.826 0.346 . . . . 0.0 111.058 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 28.1 t -93.57 -41.75 12.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.092 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 55.7 mm-40 -69.58 145.64 52.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.879 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 42.8 t80 -61.15 -50.67 72.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.866 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.7 m -51.79 -37.51 51.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.831 -179.741 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -72.59 -29.45 63.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 96.7 t -72.54 -57.2 7.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.087 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.9 ptmt -56.12 -35.34 66.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.882 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 55.4 m -62.94 -38.99 93.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.091 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 7.7 mt -70.45 -35.95 73.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.937 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 11.9 mt -71.99 -45.99 58.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.935 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -52.65 -42.89 65.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.923 179.817 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -77.26 -41.96 38.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.904 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 35.3 t90 -63.06 -15.72 57.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.949 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 39.2 mt -101.48 -14.21 8.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.091 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 70.3 p -102.98 -55.91 2.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.176 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 13.2 t -64.78 -16.91 63.68 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.13 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.2 mt -126.65 132.43 70.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.181 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 11.2 p -107.48 -32.92 7.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -110.86 81.59 2.65 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.614 0.721 . . . . 0.0 110.877 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.73 143.84 52.26 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.647 2.231 . . . . 0.0 112.339 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 63.8 mtm -92.01 156.19 17.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.87 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -52.09 -38.26 56.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.871 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 31.9 mm-40 -66.91 -45.8 76.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.869 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -57.53 -46.17 84.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 28.3 mt -72.39 -40.53 64.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.122 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.5 mt -54.78 -39.09 68.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 4.2 mm100 -54.05 -30.59 48.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.989 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 10.7 t -73.21 -35.04 46.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.151 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 92.4 t -62.04 -51.17 75.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.155 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 14.0 mmm180 -59.02 -26.79 64.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.861 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 61.5 t80 -75.5 -53.58 8.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.922 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 55.5 m -65.22 -43.61 90.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.882 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 37.0 p -57.26 -28.32 62.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.137 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 54.5 m-20 -74.14 -36.6 64.16 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.816 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.4 mp -54.0 -33.29 56.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.911 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 5.8 mt -64.68 -45.84 94.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.143 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 49.7 mm-40 -73.81 -34.29 64.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.89 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -82.63 -9.28 59.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.9 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 55.4 mmtt 64.02 41.5 6.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.909 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -112.95 35.52 3.88 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.875 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 37.8 mt -54.21 -23.05 13.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.91 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -50.26 -49.1 54.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 3.4 mtpt -78.73 -22.44 46.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 26.9 tp -58.71 -56.45 22.07 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.93 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 12.9 t0 -58.17 -28.38 64.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.798 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 26.8 mt -76.83 -43.74 35.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.948 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 89.8 t -71.03 -39.3 74.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.121 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 32.2 mm -66.12 -52.73 44.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.127 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.416 ' HA ' ' HG2' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -64.41 -25.49 68.04 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.911 179.827 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 42.4 t80 -80.99 -43.26 19.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.905 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 15.1 ptp -74.2 -32.84 63.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.899 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.416 ' HG2' ' HA ' ' A' ' 79' ' ' LYS . 0.0 OUTLIER -70.57 -32.12 69.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.915 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 2.2 ptm180 -71.08 -29.32 65.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.82 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 17.4 mt -82.48 -53.7 5.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.941 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 25.8 mtt -57.28 -27.93 62.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.815 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 60.8 mt-30 -78.72 -50.42 11.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.849 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -70.71 -10.57 59.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.957 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 5.2 m -54.96 175.83 0.05 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 2.9 p -98.5 -31.81 3.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.137 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 37.1 mp0 -85.33 131.07 34.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.874 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.6 p -70.46 -25.87 63.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.834 -179.768 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 10.0 p -58.11 -23.79 22.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.134 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 16.8 m95 -68.91 -35.14 76.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.976 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -57.77 -41.21 81.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.924 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 16.3 mtm -72.61 -36.5 68.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.889 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -53.19 -45.01 68.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.104 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 22.9 t80 -59.95 -41.63 92.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.922 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -68.13 -34.56 76.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.85 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 33.6 t80 -58.47 -46.42 86.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.847 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 5.8 mt -67.08 -41.02 86.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.112 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 20.3 mt -66.31 -36.6 83.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.896 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -59.28 -25.81 64.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -98.78 -41.24 7.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.871 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 82.3 t -72.49 -59.18 3.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.183 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 15.4 mm-40 -48.76 -29.0 4.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.951 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 4.2 t -71.34 -55.39 13.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.137 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 5.2 p -66.42 -26.71 38.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.103 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -74.33 -39.0 63.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.88 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -67.32 -41.0 85.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.927 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -64.53 -14.47 57.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.904 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 76.7 m -95.56 -60.66 1.61 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.108 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 -103.31 -42.5 5.71 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.9 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 111.54 -14.56 27.41 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.421 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.1 t -93.06 -172.73 3.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.963 0.411 . . . . 0.0 110.902 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 71.9 p -152.86 -177.75 6.47 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.112 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -85.43 155.43 21.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.928 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.93 100.19 9.97 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.924 179.841 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 4.5 m -118.26 94.4 3.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 121.005 0.431 . . . . 0.0 111.098 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 15.2 t . . . . . 0 C--N 1.331 -0.213 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.164 -179.96 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 207' ' ' LYS . . . . . . . . . . . . . 23.9 tttp . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.796 0.331 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 208' ' ' SER . . . . . . . . . . . . . 1.4 p -177.36 171.83 1.94 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.851 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 209' ' ' PHE . . . . . . . . . . . . . 70.7 t80 -79.56 -51.48 9.24 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 210' ' ' PHE . . . . . . . . . . . . . 73.5 m-85 -56.32 -25.1 47.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.904 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 211' ' ' ASP . . . . . . . . . . . . . 37.7 m-20 -74.44 -46.48 39.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.84 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 212' ' ' LYS . . . . . . . . . . . . . 16.6 ptpt -77.74 -18.36 56.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 213' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -83.95 -39.22 20.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.889 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 214' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -52.96 -29.7 30.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 215' ' ' SER . . . . . . . . . . . . . 69.8 m -59.7 -60.87 3.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.809 -179.79 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 216' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -55.16 -30.66 60.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.909 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 217' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.29 -48.42 65.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 218' ' ' ILE . . . . . . . . . . . . . 11.7 mt -54.62 -26.67 16.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.042 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 219' ' ' SER . . . . . . . . . . . . . 1.4 t -104.04 162.91 12.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.86 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 220' ' ' ASN . . . . . . . . . . . . . 8.8 p-10 . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.826 -179.945 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 -0.059 0 CA-C-O 120.829 0.347 . . . . 0.0 111.129 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -89.71 160.13 42.03 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.638 0.732 . . . . 0.0 111.049 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.7 94.53 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.696 2.264 . . . . 0.0 112.369 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -125.52 150.17 47.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.84 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.2 tp -104.49 111.87 24.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.959 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 55.03 28.95 11.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.135 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 94.59 13.0 55.13 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.505 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -104.0 113.31 26.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.876 0.369 . . . . 0.0 111.111 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 41.7 t -87.86 -46.53 15.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.156 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -67.89 148.03 51.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.829 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 46.4 t80 -62.36 -49.82 74.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.898 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 6.0 p -51.29 -38.08 50.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.91 -179.8 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -72.6 -30.13 64.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.861 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 92.5 t -73.39 -56.52 9.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.166 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.8 ptmt -56.76 -34.01 67.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.907 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 45.9 m -65.75 -38.31 88.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.112 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 15.6 mt -70.26 -35.99 74.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.909 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.9 mt -72.07 -45.9 58.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.887 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 4.2 ttpt -52.4 -43.05 64.53 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.877 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 25.5 pt-20 -77.14 -41.59 41.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.845 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 39.0 t90 -63.61 -15.24 57.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.946 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 37.2 mt -101.9 -13.51 8.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.131 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 69.2 p -103.71 -55.8 2.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.134 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 13.1 t -66.13 -16.51 64.02 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.153 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.4 mt -128.16 126.16 65.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.128 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -106.65 -26.25 11.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.794 -179.842 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -112.44 78.03 2.49 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.57 0.7 . . . . 0.0 110.946 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.68 150.82 69.18 Favored 'Trans proline' 0 C--O 1.231 0.137 0 C-N-CA 122.737 2.291 . . . . 0.0 112.316 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 31.1 mtp -98.59 159.36 15.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.88 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -55.57 -40.71 72.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.814 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 21.1 tp10 -64.28 -48.34 76.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.961 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -55.6 -49.78 71.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.926 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 53.9 mt -67.25 -31.53 53.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.132 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.6 mt -63.74 -37.7 88.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.991 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 4.7 mm-40 -54.59 -32.74 59.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.96 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 13.8 t -71.15 -34.96 56.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.105 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 96.8 t -63.36 -50.8 77.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.191 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 32.6 mmm-85 -59.53 -27.23 66.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.803 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 57.6 t80 -75.29 -53.76 8.22 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.897 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 38.9 m -64.79 -43.41 93.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.907 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 38.2 p -57.73 -28.71 64.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.092 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 31.1 m-20 -73.74 -36.73 65.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.4 mp -54.24 -33.68 58.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.912 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 5.3 mt -63.35 -48.63 86.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.188 179.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -73.56 -32.2 64.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.884 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -82.69 -9.13 59.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.827 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 3.1 mmmt 63.36 41.18 7.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.881 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -113.71 35.39 4.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 179.793 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 33.2 mt -53.99 -23.29 12.77 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.885 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -50.46 -49.43 55.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.8 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 2.1 mtpt -78.63 -22.64 46.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 27.3 tp -58.96 -59.46 5.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.936 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -56.87 -26.99 59.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.901 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 38.8 mt -76.97 -44.39 31.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.96 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 89.5 t -71.9 -36.88 59.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.202 179.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 31.9 mm -66.67 -53.31 36.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.184 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.434 ' HA ' ' HG2' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -64.45 -25.06 67.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.861 179.839 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 41.6 t80 -81.13 -44.09 18.43 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.991 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 13.2 ptp -73.9 -32.93 63.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.854 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.434 ' HG2' ' HA ' ' A' ' 79' ' ' LYS . 0.0 OUTLIER -70.13 -31.87 69.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.838 179.917 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 3.5 ptm180 -71.37 -29.72 65.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.877 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 14.3 mt -82.1 -56.46 3.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.913 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 34.8 mtt -54.34 -27.35 35.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.859 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 55.8 mt-30 -79.63 -41.03 27.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.994 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -88.68 9.85 22.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.912 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 96.2 p -68.26 -178.11 1.01 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.874 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 3.1 p -98.76 -31.5 3.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.132 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 50.8 mm-40 -96.7 119.15 34.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.897 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -56.32 -25.71 49.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 -179.805 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 12.4 p -55.33 -30.79 25.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.165 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 5.8 m95 -62.71 -37.03 84.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.955 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 11.1 m120 -55.69 -41.11 73.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.899 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 20.2 mtm -72.36 -35.22 68.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.867 179.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -54.54 -40.79 69.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.143 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 25.3 t80 -61.46 -48.65 80.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.864 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 37.2 t0 -60.57 -37.83 82.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.935 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 21.0 t80 -55.57 -44.83 77.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.832 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 9.3 mt -66.67 -47.94 81.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.051 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 28.9 mt -59.79 -37.61 79.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.919 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -58.15 -25.46 61.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 179.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 6.9 m-80 -98.73 -42.4 7.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.919 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 79.3 t -71.58 -59.0 3.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.135 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 17.6 mm-40 -48.78 -28.82 3.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.933 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 4.8 t -72.09 -54.28 17.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.119 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 5.4 p -67.06 -26.16 35.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.103 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -74.03 -38.4 64.04 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.844 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 18.1 mt-30 -67.15 -41.14 86.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 -63.98 -14.93 57.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 60.5 m -95.77 -60.59 1.61 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.152 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 12.1 m-85 -102.12 -42.93 5.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.027 0.442 . . . . 0.0 110.949 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 111.59 -14.38 27.34 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.43 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -95.03 -174.0 3.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.943 0.402 . . . . 0.0 110.86 -179.734 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 74.9 p -152.56 -177.79 6.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.109 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -95.84 147.52 23.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.66 102.47 13.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.857 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 5.0 m -114.62 107.88 24.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.111 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.123 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 207' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.821 0.344 . . . . 0.0 110.876 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 208' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -178.46 168.01 1.83 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 209' ' ' PHE . . . . . . . . . . . . . 70.8 t80 -82.28 -39.27 23.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.905 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 210' ' ' PHE . . . . . . . . . . . . . 30.3 m-85 -65.65 -26.69 67.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.875 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 211' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -76.64 -42.91 40.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 212' ' ' LYS . . . . . . . . . . . . . 7.3 ptmt -76.74 -24.64 53.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 213' ' ' LYS . . . . . . . . . . . . . 2.4 tppt? -82.89 -49.86 9.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.869 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 214' ' ' ARG . . . . . . . . . . . . . 52.2 ptt85 -53.15 -32.52 48.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.865 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 215' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.05 -54.08 51.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.898 -179.814 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 216' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -62.44 -30.72 71.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.874 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 217' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -69.54 -27.18 64.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.873 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 218' ' ' ILE . . . . . . . . . . . . . 9.3 mt -80.49 -53.89 11.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.093 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 219' ' ' SER . . . . . . . . . . . . . 2.5 t -89.27 179.55 6.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.854 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 220' ' ' ASN . . . . . . . . . . . . . 15.8 t30 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.895 -179.987 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.777 0.322 . . . . 0.0 111.119 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -120.26 160.17 44.55 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.596 0.712 . . . . 0.0 111.108 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 85.77 0.61 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.652 2.234 . . . . 0.0 112.337 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -125.17 151.43 45.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.845 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 8.9 tp -107.23 114.14 27.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.925 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 54.54 27.79 8.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.182 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 94.95 13.08 54.38 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.521 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -103.86 113.16 26.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.819 0.343 . . . . 0.0 111.14 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 21.7 t -90.79 -37.04 8.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.101 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -72.06 143.5 49.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.931 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 43.9 t80 -61.52 -51.17 69.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.835 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 52.2 p -52.28 -36.96 54.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -73.49 -29.5 62.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.83 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 91.5 t -72.15 -56.42 10.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.191 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 4.8 ptmt -57.19 -31.99 66.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.854 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 54.3 m -67.04 -40.03 87.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.165 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 8.9 mt -69.62 -35.13 74.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 14.2 mt -71.95 -46.97 55.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.936 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 9.5 ttpt -52.1 -42.76 63.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.937 179.781 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -77.32 -41.96 38.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.883 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 39.1 t90 -63.8 -15.25 58.28 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.865 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 33.4 mt -101.89 -12.78 8.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.121 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 76.0 p -104.32 -55.8 2.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.131 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 13.3 t -66.4 -15.72 63.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.175 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.4 mt -128.94 128.07 66.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.146 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -106.94 -25.16 11.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.794 -179.882 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -116.97 82.03 12.99 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-O 121.573 0.701 . . . . 0.0 110.826 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 148.59 65.56 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.626 2.217 . . . . 0.0 112.368 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 23.2 ttm -90.38 152.6 20.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.834 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -52.78 -34.13 51.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.835 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -71.52 -47.78 53.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.889 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -55.43 -47.67 75.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.836 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 51.2 mt -65.54 -31.64 54.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.123 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.4 mt -62.71 -38.98 92.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.933 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 8.0 mm-40 -54.52 -32.36 57.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.853 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 17.2 t -71.3 -34.62 54.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.135 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 96.1 t -65.63 -51.18 65.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.156 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 23.2 mmt85 -60.42 -26.0 66.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 61.1 t80 -75.26 -52.17 11.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.915 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 66.1 m -67.84 -45.51 74.44 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.866 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 46.4 p -56.35 -26.78 53.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.134 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 60.6 m-20 -73.45 -37.81 65.71 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.826 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.6 mp -54.48 -33.02 58.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.911 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 3.2 mt -64.21 -44.78 97.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.114 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -73.88 -35.24 64.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.941 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 35.0 mm-40 -82.49 -9.01 59.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.904 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 27.4 mmtt 64.6 40.58 5.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.886 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -112.65 36.53 3.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.916 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 33.5 mt -54.15 -22.99 12.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.91 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 -50.37 -48.46 55.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.829 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.4 mtpm? -78.74 -22.39 46.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.833 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 25.2 tp -59.91 -50.54 73.36 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.913 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -62.61 -29.26 70.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.875 179.815 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 21.3 mt -76.85 -45.26 29.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.829 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 99.3 t -70.21 -42.29 78.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.138 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 27.1 mm -64.17 -52.36 57.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.109 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.426 ' HA ' ' HG2' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -64.3 -25.31 67.99 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.863 179.852 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 38.2 t80 -80.64 -43.42 20.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.929 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 14.5 ptp -74.38 -32.79 62.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.891 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.426 ' HG2' ' HA ' ' A' ' 79' ' ' LYS . 0.0 OUTLIER -70.51 -31.99 69.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.922 179.936 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 1.6 ptm180 -71.2 -29.52 65.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.848 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 19.1 mt -82.51 -55.33 4.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.851 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 29.6 mtt -55.25 -26.25 38.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.842 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 57.7 mt-30 -81.27 -55.07 4.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.877 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -65.41 -14.7 61.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.904 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 2.1 m -51.95 164.76 0.24 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.81 -179.702 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 2.4 m -85.35 -26.28 6.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.065 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -94.68 128.44 41.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 53.8 p -70.56 -25.71 63.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.842 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 29.2 m -55.02 -26.14 17.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.109 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 9.2 m95 -68.3 -35.45 77.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.935 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 12.5 m-80 -56.17 -38.7 71.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.895 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 19.6 mtm -72.42 -39.26 68.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -53.18 -38.92 63.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.072 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 24.8 t80 -64.4 -48.64 74.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.848 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 39.3 t0 -60.42 -34.08 73.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.872 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 37.6 t80 -58.61 -48.74 79.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.908 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 5.7 mt -63.6 -39.02 83.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.162 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 26.8 mt -69.71 -33.86 73.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -59.52 -29.32 67.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.86 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 20.2 m-80 -97.99 -37.74 9.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.89 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 82.1 t -73.43 -60.64 2.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.14 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 18.5 mm-40 -49.22 -29.47 5.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.85 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 3.3 t -70.58 -53.2 23.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.065 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 7.5 p -68.7 -24.98 29.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.096 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -74.16 -38.81 63.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.939 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 -66.17 -41.02 90.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.921 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -64.46 -14.85 59.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 73.6 m -95.63 -59.35 1.89 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.094 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 11.9 m-85 -104.44 -42.87 5.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.892 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 111.15 -14.3 28.45 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.426 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.2 t -95.14 -173.24 2.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.933 0.397 . . . . 0.0 110.827 -179.698 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 67.4 p -152.48 -177.91 6.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.115 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -92.51 155.48 17.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.912 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.5 97.71 7.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.868 179.863 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 3.9 m -118.34 93.21 2.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.119 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 9.8 t . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.113 -179.924 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 207' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.457 -0.091 0 CA-C-O 120.845 0.355 . . . . 0.0 110.852 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 208' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -179.45 159.85 0.94 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.86 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 209' ' ' PHE . . . . . . . . . . . . . 76.9 t80 -69.01 -44.14 73.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.885 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 210' ' ' PHE . . . . . . . . . . . . . 28.8 m-85 -61.73 -25.44 67.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.904 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 211' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -73.25 -46.77 48.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.845 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 212' ' ' LYS . . . . . . . . . . . . . 7.7 ptpp? -71.08 -23.95 62.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.931 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 213' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -82.29 -49.43 10.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 214' ' ' ARG . . . . . . . . . . . . . 41.8 ptt85 -58.06 -30.09 65.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.907 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 215' ' ' SER . . . . . . . . . . . . . 26.7 t -77.68 -31.47 52.5 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.823 -179.787 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 216' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -61.07 -47.57 85.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.88 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 217' ' ' ARG . . . . . . . . . . . . . 12.0 ptm180 -65.74 -39.94 91.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.836 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 218' ' ' ILE . . . . . . . . . . . . . 52.2 mt -69.17 -24.73 28.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.162 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 219' ' ' SER . . . . . . . . . . . . . 13.8 p -97.02 178.04 5.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.862 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 220' ' ' ASN . . . . . . . . . . . . . 17.5 p30 . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.878 -179.999 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.739 0.304 . . . . 0.0 111.081 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -96.15 160.35 30.09 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.6 0.714 . . . . 0.0 111.052 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 98.12 0.68 Allowed 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.692 2.261 . . . . 0.0 112.292 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -125.97 147.57 49.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.835 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 10.4 tp -108.23 115.95 31.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.876 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 56.37 29.83 15.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.13 179.766 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 89.37 13.15 62.05 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.493 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -104.92 119.39 38.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.853 0.359 . . . . 0.0 111.052 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 21.8 t -93.74 -36.92 7.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.109 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 33.2 mm-40 -72.82 146.27 46.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.916 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 42.1 t80 -62.85 -51.02 68.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.857 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 12.2 p -51.72 -37.58 51.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.872 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -73.26 -29.41 62.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.879 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 88.8 t -72.36 -57.23 7.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.123 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.2 ptmt -56.62 -34.85 67.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 55.5 m -64.98 -36.87 85.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.16 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 12.9 mt -70.52 -36.62 73.85 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.932 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 13.8 mt -72.26 -46.18 57.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.909 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -52.05 -43.0 63.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.899 179.805 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -77.17 -41.78 40.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.927 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 34.7 t90 -63.85 -15.26 58.46 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.885 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 35.3 mt -102.23 -11.9 8.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.161 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 77.4 p -105.58 -55.98 2.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.137 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 12.6 t -66.9 -16.85 64.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.12 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.4 mt -128.05 127.58 67.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.139 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.8 m -106.81 -26.39 11.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.853 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -113.85 80.98 5.53 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.623 0.725 . . . . 0.0 110.884 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.83 147.93 63.53 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.652 2.235 . . . . 0.0 112.404 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 11.6 ttp -95.48 167.51 11.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.901 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.43 -58.1 9.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.923 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -51.72 -31.33 25.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -69.94 -49.89 47.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.896 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 63.4 mt -66.22 -42.76 91.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.145 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -51.84 -40.07 59.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 8.9 mm-40 -54.04 -32.18 53.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.875 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 12.0 t -72.98 -34.7 46.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.095 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 91.3 t -67.7 -52.45 40.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.156 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 40.8 mmm-85 -58.64 -25.8 63.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.913 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 69.9 t80 -75.46 -52.08 11.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.956 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 56.9 m -67.3 -46.1 74.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.892 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 34.8 p -53.51 -28.44 31.16 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.218 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 43.2 m-20 -73.71 -38.02 64.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.894 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -54.31 -32.78 57.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.891 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.411 HD11 HG13 ' A' ' 107' ' ' VAL . 6.0 mt -65.46 -48.59 82.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.117 179.859 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -73.39 -28.38 61.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -86.96 -10.07 54.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 3.9 mmmm 63.99 42.96 5.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.922 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -115.64 35.72 4.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.853 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 21.4 mt -58.01 -17.25 16.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.96 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -50.15 -54.9 17.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.911 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.92 -22.2 46.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.923 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 37.0 tp -53.59 -52.79 58.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.932 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.44 -27.77 68.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.862 179.855 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 42.3 mt -76.68 -44.01 35.49 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.928 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 86.4 t -70.43 -40.55 77.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.149 179.793 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 29.6 mm -64.96 -53.07 45.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.174 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.423 ' HA ' ' HG2' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -64.36 -25.16 67.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.912 179.819 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 42.3 t80 -80.92 -43.42 19.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 12.6 ptp -74.58 -31.88 62.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.853 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.423 ' HG2' ' HA ' ' A' ' 79' ' ' LYS . 0.0 OUTLIER -71.32 -32.2 68.31 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.872 179.956 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 2.3 ptm180 -71.52 -28.69 64.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.867 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 16.1 mt -82.67 -55.36 4.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 26.0 mtt -55.87 -25.98 44.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.933 179.804 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 51.3 mt-30 -80.85 -42.43 21.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.977 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -85.52 4.59 35.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.86 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 98.6 p -64.76 -177.41 0.33 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.858 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 2.9 p -100.12 -31.28 3.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.163 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -91.71 135.68 33.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.952 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 2.7 t -71.73 -23.72 61.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 -179.767 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 10.6 p -60.68 -28.93 43.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.153 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 4.6 m95 -64.05 -37.1 86.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.912 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -57.82 -41.99 83.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.899 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 17.6 mtm -72.65 -35.1 67.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.897 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -53.35 -44.92 68.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.095 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 23.5 t80 -59.38 -44.98 92.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.884 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 42.2 t0 -62.46 -39.01 92.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 24.9 t80 -55.61 -48.75 74.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.896 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 9.2 mt -62.5 -40.3 87.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.171 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 23.0 mt -67.78 -35.44 78.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.917 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -60.08 -27.31 66.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 179.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 5.2 m-80 -98.44 -38.21 9.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.894 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 83.5 t -74.34 -59.32 3.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.078 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 13.4 mm-40 -48.96 -28.95 4.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.85 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 4.6 t -70.55 -56.98 9.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.116 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.411 HG13 HD11 ' A' ' 66' ' ' ILE . 5.0 p -64.62 -25.63 38.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.108 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -74.04 -39.11 63.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.917 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 17.3 mt-30 -66.32 -41.22 89.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.942 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 -63.42 -15.58 58.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.93 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 55.5 m -95.68 -60.64 1.61 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.075 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -102.42 -43.06 5.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.957 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 111.01 -14.52 28.74 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.527 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -94.46 -174.27 3.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.004 0.43 . . . . 0.0 110.883 -179.754 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 68.0 p -152.49 -178.21 6.7 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.138 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -97.32 146.06 25.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.895 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.86 98.78 10.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.903 179.877 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 4.9 m -117.81 105.86 18.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.116 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 14.8 t . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.08 -179.971 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 207' ' ' LYS . . . . . . . . . . . . . 14.1 mtmt . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.788 0.327 . . . . 0.0 110.916 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 208' ' ' SER . . . . . . . . . . . . . 34.3 p -174.51 173.34 2.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.857 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 209' ' ' PHE . . . . . . . . . . . . . 80.1 t80 -82.58 -46.81 12.87 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.869 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 210' ' ' PHE . . . . . . . . . . . . . 67.8 m-85 -62.41 -24.68 67.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.863 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 211' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -76.23 -43.02 44.04 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.868 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 212' ' ' LYS . . . . . . . . . . . . . 19.3 ptpt -77.34 -23.91 50.82 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 213' ' ' LYS . . . . . . . . . . . . . 8.3 tmtt? -83.38 -44.57 14.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.884 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 214' ' ' ARG . . . . . . . . . . . . . 13.4 ptp180 -60.98 -31.76 71.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.865 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 215' ' ' SER . . . . . . . . . . . . . 1.4 t -61.78 -40.61 95.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.844 -179.769 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 216' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -67.05 -41.64 86.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.872 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 217' ' ' ARG . . . . . . . . . . . . . 57.6 ttt85 -58.69 -26.79 64.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.832 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 218' ' ' ILE . . . . . . . . . . . . . 50.5 mt -80.61 -25.25 11.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.112 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 219' ' ' SER . . . . . . . . . . . . . 2.8 t -95.04 -74.31 0.55 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.833 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 220' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.928 -179.962 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.88 0.372 . . . . 0.0 111.098 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -104.08 160.26 26.64 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.58 0.705 . . . . 0.0 111.082 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.67 96.51 0.59 Allowed 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.632 2.221 . . . . 0.0 112.426 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -126.16 135.32 51.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.921 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 12.5 tp -102.78 113.51 26.98 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.941 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 56.81 27.65 13.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.042 179.805 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 92.36 13.03 57.85 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.487 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -106.83 118.74 37.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.814 0.34 . . . . 0.0 111.065 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 22.0 t -95.38 -38.35 8.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.153 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -72.22 143.48 48.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.933 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 43.3 t80 -58.53 -51.33 70.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.868 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.49 -37.47 49.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.837 -179.76 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -75.61 -29.72 59.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.922 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 99.0 t -73.54 -49.43 36.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.088 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 6.3 pttt -63.48 -30.43 71.55 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 54.9 m -67.48 -39.99 85.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.224 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 15.1 mt -67.14 -37.53 83.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.925 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 8.7 mt -71.87 -45.06 62.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 9.0 ttpt -52.94 -44.54 67.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 23.1 pt-20 -77.26 -39.75 47.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.862 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 28.6 t90 -64.06 -14.87 57.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.893 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 33.6 mt -103.36 -11.69 9.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.144 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 81.2 p -105.09 -55.75 2.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.229 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 12.7 t -68.7 -11.6 60.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.151 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.2 mt -133.36 128.69 55.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.058 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -107.03 -25.59 11.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.865 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -114.35 81.71 6.88 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.671 0.748 . . . . 0.0 110.901 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 148.04 64.27 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.685 2.257 . . . . 0.0 112.369 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 7.1 ttp -93.59 148.02 22.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.868 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -52.46 -52.27 55.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.889 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -51.78 -51.48 56.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -56.68 -34.09 67.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.863 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 20.0 mt -71.62 -41.68 71.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.17 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -51.97 -38.21 55.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.884 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 3.0 mm-40 -56.36 -32.19 64.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.885 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 13.0 t -71.58 -34.67 53.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.175 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 88.4 t -67.35 -51.22 54.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.101 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 26.3 mmt180 -60.15 -26.31 66.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 59.3 t80 -74.87 -52.95 9.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.916 -179.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 57.4 m -66.88 -45.76 77.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.937 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 43.7 p -55.94 -26.01 45.95 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.165 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 30.8 m-20 -73.54 -37.99 65.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.854 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.3 mp -54.74 -36.06 64.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.878 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.425 HG12 ' HB2' ' A' ' 108' ' ' LEU . 3.6 mt -61.66 -45.73 98.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.115 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -74.12 -34.13 63.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.897 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 68.4 mm-40 -82.58 -7.31 59.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.894 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 6.6 mmmt 63.55 39.94 8.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.893 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 35.7 m-20 -112.79 36.66 3.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.934 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 33.9 mt -54.01 -23.04 12.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.867 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -50.21 -49.27 53.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.889 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.3 mtpp -78.79 -22.87 45.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 22.0 tp -60.81 -62.05 2.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.936 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -53.31 -28.68 29.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.851 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 27.1 mt -76.66 -44.96 31.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.917 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 87.7 t -69.93 -33.43 55.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.125 179.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 31.9 mm -70.22 -55.43 14.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.126 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.421 ' HA ' ' HG2' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -62.58 -25.19 67.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.933 179.828 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 52.9 t80 -79.32 -44.28 21.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.874 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 15.2 ptp -74.42 -32.1 62.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.923 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.421 ' HG2' ' HA ' ' A' ' 79' ' ' LYS . 0.0 OUTLIER -70.19 -31.67 69.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 179.926 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 1.6 ptm180 -73.04 -29.8 63.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.905 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 17.0 mt -82.51 -55.9 4.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.881 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 39.1 mtt -54.41 -27.28 35.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.939 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 60.4 mt-30 -80.56 -55.4 4.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -64.22 -15.81 60.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.863 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 2.8 m -53.98 174.94 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 -179.776 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 3.1 p -94.96 -32.57 4.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.148 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -83.18 123.98 30.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.917 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 9.2 m -67.87 -26.47 66.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 -179.788 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 10.8 p -55.84 -25.87 19.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.124 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 16.6 m95 -65.27 -27.09 68.39 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.868 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 8.5 m-80 -66.36 -39.64 89.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.895 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 11.1 mtt -72.34 -39.66 67.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.941 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -54.93 -43.19 73.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.121 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 24.7 t80 -60.52 -43.91 96.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -66.41 -33.94 76.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.807 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 38.2 t80 -60.02 -47.68 84.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.951 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 6.4 mt -65.39 -37.51 80.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.144 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 7.8 mt -71.49 -33.2 69.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.955 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -60.26 -28.27 67.92 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.871 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 9.8 m-80 -98.21 -37.88 9.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.829 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 80.6 t -73.71 -59.74 3.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.16 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 9.5 mm-40 -49.19 -29.72 5.94 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.933 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 4.4 t -70.66 -55.09 15.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.066 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 7.6 p -65.98 -24.8 34.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.185 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.425 ' HB2' HG12 ' A' ' 66' ' ' ILE . 0.1 OUTLIER -74.17 -39.19 63.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.898 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -66.38 -41.11 89.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.868 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 -64.73 -14.39 58.52 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.926 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 84.5 m -95.64 -60.82 1.57 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.153 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 10.6 m-85 -101.69 -43.3 5.9 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.962 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 105.4 42.57 1.72 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.513 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.2 t -153.57 179.42 8.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.957 0.408 . . . . 0.0 110.89 -179.761 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 69.4 p -152.03 150.74 30.31 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.114 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.57 155.5 37.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.886 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.4 97.21 7.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.897 179.784 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 3.9 m -118.31 87.41 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.168 179.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 9.1 t . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.137 -179.954 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 207' ' ' LYS . . . . . . . . . . . . . 6.8 tmtm? . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.826 0.346 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 208' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -179.91 153.17 0.5 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.918 -179.888 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 209' ' ' PHE . . . . . . . . . . . . . 72.9 t80 -64.99 -45.32 86.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.774 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 210' ' ' PHE . . . . . . . . . . . . . 40.2 m-85 -61.83 -25.44 67.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.821 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 211' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -76.57 -44.29 35.29 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.871 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 212' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.4 -18.92 56.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.953 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 213' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -86.62 -45.54 10.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.912 179.863 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 214' ' ' ARG . . . . . . . . . . . . . 26.5 ptt180 -55.96 -26.17 46.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.882 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 215' ' ' SER . . . . . . . . . . . . . 45.3 t -76.38 -26.05 55.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.845 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 216' ' ' GLU . . . . . . . . . . . . . 47.7 mm-40 -65.63 -55.64 16.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.886 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 217' ' ' ARG . . . . . . . . . . . . . 3.7 ptp85 -55.07 -32.74 62.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.886 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 218' ' ' ILE . . . . . . . . . . . . . 48.2 mt -71.48 -25.09 24.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.109 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 219' ' ' SER . . . . . . . . . . . . . 8.9 t -93.23 -172.8 3.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 220' ' ' ASN . . . . . . . . . . . . . 4.9 m120 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.922 179.973 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.797 0.332 . . . . 0.0 111.048 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -120.37 159.74 46.56 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.558 0.694 . . . . 0.0 111.123 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 93.01 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.699 2.266 . . . . 0.0 112.31 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -123.65 137.93 54.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.917 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.2 tp -102.13 114.09 27.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.968 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 55.93 31.23 17.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.095 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 89.29 12.69 62.83 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.507 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -105.45 117.75 34.82 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.796 0.332 . . . . 0.0 111.092 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 23.5 t -93.75 -41.36 12.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.163 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -71.26 145.17 49.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.914 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 45.8 t80 -60.11 -50.35 74.05 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.873 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -52.12 -37.2 53.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.849 -179.758 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 61.0 m-20 -74.76 -29.45 61.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.897 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 81.8 t -71.09 -54.42 17.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.161 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 6.3 pttt -58.93 -32.32 69.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.817 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 63.5 m -65.75 -39.2 90.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.132 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 19.5 mt -69.52 -36.38 76.36 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.937 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 14.1 mt -71.97 -45.99 58.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.928 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 11.3 ttpt -52.86 -43.7 66.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.892 179.798 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 25.2 pt-20 -77.45 -41.13 40.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.86 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 33.1 t90 -63.24 -15.42 57.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.93 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 38.1 mt -102.11 -13.39 8.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.162 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 71.7 p -103.78 -56.12 2.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.148 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 12.7 t -66.64 -17.54 64.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.092 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.2 mt -128.03 127.17 67.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.159 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -106.82 -25.76 11.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.858 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 86.4 m-20 -112.6 79.6 3.24 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.612 0.72 . . . . 0.0 110.906 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.66 143.26 50.75 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.706 2.27 . . . . 0.0 112.376 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 65.3 mtm -91.46 166.79 12.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.844 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -63.85 -57.76 8.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -51.67 -31.55 26.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.909 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -73.08 -39.75 65.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.909 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 19.6 mt -71.87 -41.81 69.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.144 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -52.15 -38.55 57.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.912 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -54.16 -31.26 52.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.945 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 11.7 t -73.46 -34.67 43.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.094 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 96.8 t -67.96 -51.83 45.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.089 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 16.8 mmm180 -58.72 -25.7 63.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.89 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 67.8 t80 -75.53 -51.84 12.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.862 -179.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 33.5 m -67.44 -46.06 74.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.958 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 34.8 p -53.94 -27.73 32.81 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.185 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 71.5 m-20 -73.97 -37.51 64.47 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.857 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -54.22 -37.97 65.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.906 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.405 HD12 HG13 ' A' ' 107' ' ' VAL . 6.0 mt -59.97 -48.05 89.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.116 179.85 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -73.16 -32.98 65.21 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.938 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 48.0 mm-40 -83.91 -2.37 56.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.901 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 57.08 42.92 25.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.857 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -114.32 34.15 4.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.882 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 21.4 mt -56.6 -18.66 12.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.96 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -50.29 -54.82 18.65 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.886 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.56 -22.27 47.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.939 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 39.5 tp -53.94 -53.7 49.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.978 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.61 -27.2 68.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 179.785 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 48.3 mt -76.7 -42.65 40.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.874 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 92.4 t -70.79 -42.34 77.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.189 179.797 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 30.4 mm -63.07 -53.72 42.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.147 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.407 ' HA ' ' HG2' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -63.8 -25.1 68.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.842 179.917 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 38.9 t80 -80.09 -43.7 21.3 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.885 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 14.3 ptp -74.42 -31.95 62.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.842 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.407 ' HG2' ' HA ' ' A' ' 79' ' ' LYS . 0.0 OUTLIER -70.94 -32.09 68.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.892 179.912 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 2.4 ptm180 -71.2 -29.73 65.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 16.3 mt -82.45 -53.86 5.65 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.911 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 31.7 mtt -56.64 -29.93 62.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.861 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 68.2 mt-30 -78.16 -56.77 4.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.886 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -62.56 -17.63 60.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.893 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -51.69 167.05 0.11 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.81 -179.757 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 2.2 m -90.16 -25.51 5.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.149 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -93.48 128.15 39.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.88 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 16.2 m -71.63 -23.63 61.73 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.912 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 7.6 p -55.55 -24.76 16.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.121 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 11.3 m95 -74.09 -32.81 63.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.941 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 8.4 m-80 -60.05 -38.43 82.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.875 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 17.6 mtm -72.63 -36.27 67.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -56.79 -42.81 80.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.02 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 23.5 t80 -58.59 -48.94 79.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.911 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 44.5 t0 -61.67 -37.88 85.71 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.854 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 31.6 t80 -56.95 -48.32 78.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 10.9 mt -64.61 -40.26 88.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.088 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 18.2 mt -66.91 -36.02 81.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.915 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -59.45 -24.62 63.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.918 179.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 15.3 m-80 -98.76 -41.94 7.44 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.966 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 79.9 t -72.42 -58.72 4.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.107 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 13.3 mm-40 -48.87 -28.79 4.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.946 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 4.7 t -71.99 -55.01 14.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.069 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.405 HG13 HD12 ' A' ' 66' ' ' ILE . 5.3 p -66.45 -26.0 36.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.154 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -74.06 -38.76 63.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.894 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 17.9 mt-30 -66.44 -41.06 89.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 50.8 mt-30 -63.55 -15.84 59.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 51.7 m -95.65 -58.98 1.97 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.149 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -104.77 -43.0 5.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.943 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 110.43 -14.55 30.27 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.48 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -93.56 -174.51 3.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.002 0.429 . . . . 0.0 110.848 -179.78 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 76.4 p -152.62 178.94 9.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.102 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -91.75 140.93 29.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.23 95.83 10.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.913 179.826 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 3.9 m -118.49 90.92 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.124 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.112 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 207' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.781 0.324 . . . . 0.0 110.876 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 208' ' ' SER . . . . . . . . . . . . . 1.2 t -179.2 158.12 0.87 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.946 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 209' ' ' PHE . . . . . . . . . . . . . 73.3 t80 -80.73 -34.35 34.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.875 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 210' ' ' PHE . . . . . . . . . . . . . 32.5 m-85 -70.03 -25.83 63.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.875 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 211' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -75.74 -47.22 26.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.854 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 212' ' ' LYS . . . . . . . . . . . . . 1.3 pttp -67.94 -26.42 65.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 213' ' ' LYS . . . . . . . . . . . . . 15.0 tppt? -79.51 -54.23 6.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.936 179.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 214' ' ' ARG . . . . . . . . . . . . . 30.9 ptt180 -53.61 -28.2 31.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 215' ' ' SER . . . . . . . . . . . . . 3.4 t -74.51 -35.21 63.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.899 -179.815 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 216' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -55.03 -57.21 12.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.878 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 217' ' ' ARG . . . . . . . . . . . . . 15.4 ptp180 -57.21 -44.98 84.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.817 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 218' ' ' ILE . . . . . . . . . . . . . 56.3 mt -63.92 -24.96 37.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.177 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 219' ' ' SER . . . . . . . . . . . . . 11.1 t -94.19 141.91 28.01 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.82 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 220' ' ' ASN . . . . . . . . . . . . . 9.0 m120 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.9 -179.99 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.853 0.358 . . . . 0.0 111.129 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -113.81 160.39 32.23 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.586 0.708 . . . . 0.0 111.105 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 97.05 0.62 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.735 2.29 . . . . 0.0 112.327 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -124.9 135.38 52.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.934 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 13.0 tp -103.6 112.36 25.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.934 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 56.46 26.14 10.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.134 179.771 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 95.04 13.03 54.37 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.559 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -107.43 116.73 32.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.889 0.375 . . . . 0.0 111.058 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 19.3 t -94.62 -34.16 5.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.11 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -75.75 144.85 41.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 41.0 t80 -58.72 -53.17 61.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.892 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 79.9 p -51.95 -36.36 49.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.857 -179.822 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 43.5 t0 -74.42 -30.56 61.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.844 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 95.0 t -71.58 -54.93 15.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.148 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 5.9 pttt -57.66 -31.03 65.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.897 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 55.1 m -65.63 -42.78 91.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.114 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 9.7 mt -68.13 -32.95 73.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.932 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 11.8 mt -72.23 -48.86 39.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.931 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 11.5 ttpt -52.68 -41.75 64.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.912 179.793 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -77.27 -41.86 39.32 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.906 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 33.4 t90 -63.94 -14.79 56.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.874 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 33.8 mt -103.27 -9.86 9.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.089 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 77.9 p -108.21 -56.05 2.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.16 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 12.7 t -66.12 -17.74 64.9 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.183 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.2 mt -126.99 128.23 70.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.128 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 36.6 m -106.95 -28.1 10.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.809 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -111.8 79.99 2.78 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-O 121.571 0.7 . . . . 0.0 110.831 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 150.46 68.26 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.71 2.273 . . . . 0.0 112.351 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 49.4 mtm -101.82 156.91 17.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.843 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -51.79 -30.59 23.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.898 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -71.89 -48.32 46.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -58.22 -44.2 88.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.901 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 29.2 mt -71.81 -37.94 63.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.168 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 8.7 mt -58.3 -41.23 83.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.935 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 19.1 mm-40 -54.25 -31.37 53.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.9 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 13.1 t -72.77 -35.04 48.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.143 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 87.4 t -63.69 -51.49 69.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.082 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 24.5 mmm180 -60.06 -25.96 65.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.831 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 72.7 t80 -75.5 -52.27 11.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.93 -179.79 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 86.9 m -67.5 -45.45 75.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.859 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 42.0 p -56.23 -27.06 53.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.152 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -73.56 -34.59 65.22 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.1 mp -58.57 -33.37 69.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.939 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.413 HG12 ' HB2' ' A' ' 108' ' ' LEU . 3.6 mt -65.24 -49.64 77.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.103 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -73.9 -23.91 59.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.954 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 45.8 mm-40 -90.68 -9.64 46.07 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.824 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 64.0 42.48 5.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 45.2 m-20 -116.25 36.31 4.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.869 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 22.9 mt -57.05 -18.47 14.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.882 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 68.0 tt0 -50.24 -54.69 19.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.859 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.12 -22.76 44.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.874 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 44.6 tp -53.92 -55.99 21.85 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.95 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.31 -27.66 64.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.901 179.786 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 43.2 mt -76.72 -44.58 32.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.925 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 92.8 t -69.92 -40.08 78.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.126 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 30.5 mm -64.99 -54.14 33.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.053 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.412 ' HA ' ' HG2' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -63.63 -25.26 68.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.878 179.87 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 37.5 t80 -80.37 -43.77 20.55 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 14.3 ptp -74.22 -32.35 62.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.412 ' HG2' ' HA ' ' A' ' 79' ' ' LYS . 0.0 OUTLIER -70.82 -31.99 68.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.858 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 1.8 ptm180 -71.45 -28.54 64.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.876 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 17.0 mt -82.59 -53.96 5.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 22.1 mtt -57.54 -26.08 60.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 65.4 mt-30 -81.9 -42.07 20.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.867 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -83.81 1.96 40.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.888 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 95.9 p -62.44 -178.07 0.17 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.803 -179.737 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 3.1 p -99.78 -31.65 3.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.201 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 52.6 mm-40 -93.14 135.37 34.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.866 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.7 p -71.38 -24.71 62.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.89 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 19.1 m -58.93 -23.97 25.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.197 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 6.2 m95 -69.19 -35.44 76.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.932 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -56.88 -39.91 75.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.88 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 14.2 mtm -72.52 -34.61 67.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 179.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -53.56 -46.9 70.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.049 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 21.4 t80 -59.52 -40.06 85.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.876 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -67.01 -36.31 81.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.873 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 29.0 t80 -57.96 -47.83 81.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.904 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 6.9 mt -64.25 -39.71 86.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.142 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 21.0 mt -68.87 -34.26 75.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.922 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -60.39 -28.77 68.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.872 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 38.3 m-80 -98.36 -36.89 9.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 76.6 t -74.7 -60.03 2.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.184 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 17.1 mm-40 -49.24 -29.52 5.86 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.92 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 3.4 t -69.81 -53.74 22.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.155 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 7.1 p -68.62 -25.14 30.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.149 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.413 ' HB2' HG12 ' A' ' 66' ' ' ILE . 0.1 OUTLIER -74.12 -39.37 63.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.88 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 15.3 mt-30 -66.1 -41.01 91.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.93 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 44.7 mt-30 -64.66 -14.67 59.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 72.8 m -95.39 -59.84 1.79 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.144 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -104.43 -42.76 5.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 111.26 -14.33 28.18 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.523 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.2 t -94.5 -172.53 2.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.943 0.401 . . . . 0.0 110.876 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 72.4 p -152.51 178.93 9.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.186 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -77.46 155.34 31.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.935 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -112.66 99.2 7.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.91 179.869 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 6.4 m -113.48 111.25 35.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.099 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 7.9 t . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.15 179.968 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 207' ' ' LYS . . . . . . . . . . . . . 3.5 tppp? . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.787 0.327 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 208' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -179.93 160.58 0.89 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.843 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 209' ' ' PHE . . . . . . . . . . . . . 73.4 t80 -67.58 -58.2 5.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.969 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 210' ' ' PHE . . . . . . . . . . . . . 64.7 m-85 -58.5 -25.22 62.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.931 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 211' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -75.77 -44.41 41.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.862 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 212' ' ' LYS . . . . . . . . . . . . . 21.0 ptmt -76.19 -22.66 55.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.86 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 213' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.94 -44.32 13.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.947 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 214' ' ' ARG . . . . . . . . . . . . . 18.0 ptp180 -62.55 -33.07 74.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.861 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 215' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.36 -49.53 64.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.849 -179.808 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 216' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -65.58 -33.26 75.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.85 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 217' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.2 -41.62 76.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.893 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 218' ' ' ILE . . . . . . . . . . . . . 10.4 mt -56.14 -39.65 60.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.137 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 219' ' ' SER . . . . . . . . . . . . . 26.0 t -72.56 135.19 45.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 220' ' ' ASN . . . . . . . . . . . . . 15.8 p30 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.886 -179.944 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.075 0 CA-C-O 120.746 0.308 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.61 160.5 81.44 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.548 0.69 . . . . 0.0 111.099 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.82 92.17 0.52 Allowed 'Trans proline' 0 N--CA 1.465 -0.193 0 C-N-CA 122.711 2.274 . . . . 0.0 112.314 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -125.71 143.71 50.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.943 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 11.6 tp -96.43 105.75 17.88 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.936 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 56.51 41.02 29.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.142 179.784 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 87.16 0.28 85.3 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.476 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -91.19 109.85 21.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.85 0.357 . . . . 0.0 111.119 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 23.3 t -92.11 -41.11 12.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.16 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 50.5 mm-40 -70.72 133.91 47.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.92 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 46.9 t80 -52.12 -49.54 63.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.916 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.78 -37.68 52.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.812 -179.805 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -74.58 -29.62 61.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.879 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 92.0 t -72.18 -55.32 13.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.136 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 6.7 pttt -57.87 -31.83 67.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.824 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 53.1 m -67.42 -39.4 85.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.17 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 14.4 mt -67.31 -37.81 83.95 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.936 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 8.9 mt -72.02 -44.94 62.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 8.2 ttpt -52.77 -43.65 65.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.955 179.769 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -77.37 -40.83 42.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.847 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 35.5 t90 -63.52 -15.06 56.87 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.898 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 34.9 mt -102.52 -13.08 8.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.137 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 76.5 p -103.81 -55.67 2.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.147 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 13.2 t -68.07 -16.84 64.19 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.133 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.2 mt -129.03 125.44 62.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.178 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -106.87 -26.07 11.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.857 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 89.7 m-20 -114.11 80.07 5.34 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.612 0.72 . . . . 0.0 110.813 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.83 158.31 57.29 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.648 2.232 . . . . 0.0 112.353 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 69.6 mtm -105.13 172.23 6.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.888 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -61.74 -62.0 2.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.867 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 13.6 mp0 -51.66 -30.58 22.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.882 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -68.68 -47.04 67.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.842 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 59.0 mt -71.64 -41.29 71.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.164 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -52.33 -40.75 62.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.878 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -54.1 -32.57 55.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.972 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 13.8 t -73.31 -35.01 45.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.151 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 89.8 t -65.66 -51.24 64.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.167 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 13.3 mmt180 -58.77 -25.61 63.23 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.877 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 69.3 t80 -75.37 -52.0 11.8 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.957 -179.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 88.7 m -67.72 -46.25 72.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.883 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 36.8 p -55.74 -26.02 43.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.146 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -73.61 -38.11 65.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.7 mp -54.83 -33.84 62.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.877 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.419 HG12 ' HB2' ' A' ' 108' ' ' LEU . 3.5 mt -63.42 -46.9 94.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.083 179.843 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 56.3 mm-40 -74.26 -32.41 62.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.877 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -83.42 -8.54 59.37 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.938 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 3.8 mmmm 64.15 39.88 7.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.891 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -113.11 36.59 3.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.82 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 37.0 mt -53.83 -23.39 12.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.971 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -50.51 -48.51 57.02 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.901 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 7.0 mtpt -78.9 -22.79 45.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.914 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 28.2 tp -57.9 -59.92 4.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.919 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -54.98 -26.43 36.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.818 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 54.1 mt -76.9 -52.27 9.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 89.5 t -65.7 -34.51 70.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.156 179.812 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 31.0 mm -70.27 -54.79 17.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.133 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.421 ' HA ' ' HG2' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -63.85 -25.14 68.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 179.848 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 38.0 t80 -81.0 -43.38 19.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.958 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 12.8 ptp -74.37 -32.01 62.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.909 179.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.421 ' HG2' ' HA ' ' A' ' 79' ' ' LYS . 0.0 OUTLIER -71.43 -32.21 68.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 2.3 ptm180 -70.77 -29.84 66.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.901 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 15.9 mt -82.15 -55.77 4.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.901 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 28.4 mtt -54.42 -26.61 31.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.94 179.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 59.1 mt-30 -79.1 -42.77 25.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.87 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -84.92 3.04 40.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.91 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.92 177.13 0.81 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.884 -179.768 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 3.4 p -95.71 -32.73 4.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.157 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 69.7 mm-40 -91.8 116.58 29.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.83 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.6 p -56.55 -25.02 50.86 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.872 -179.794 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 11.0 p -55.88 -29.07 25.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.157 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 5.6 m95 -62.95 -35.03 78.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.878 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 15.0 m-80 -57.56 -42.3 82.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.917 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 15.7 mtm -72.56 -31.57 65.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.862 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -58.38 -44.48 88.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.092 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 26.2 t80 -60.81 -43.93 97.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.92 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -62.48 -38.36 89.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.815 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 21.8 t80 -56.72 -48.5 77.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 7.8 mt -61.38 -42.26 93.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.101 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 24.4 mt -67.96 -33.89 75.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.862 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -60.14 -29.34 68.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.917 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 16.8 m-80 -98.2 -36.82 9.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.834 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 87.7 t -74.31 -60.31 2.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.189 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 17.7 mm-40 -49.28 -29.56 6.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.934 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 3.4 t -69.96 -53.1 25.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.162 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 7.7 p -68.97 -24.79 28.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.11 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.419 ' HB2' HG12 ' A' ' 66' ' ' ILE . 0.1 OUTLIER -73.85 -39.17 64.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.925 179.964 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -65.61 -41.25 92.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.936 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 51.4 mt-30 -64.2 -15.06 59.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.922 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 65.9 m -95.5 -59.11 1.95 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.206 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -105.06 -42.84 5.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.849 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 110.87 -14.54 29.1 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.529 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 99.9 p -94.72 -172.78 2.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.949 0.404 . . . . 0.0 110.847 -179.727 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 69.1 p -152.42 -177.63 6.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.136 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -93.75 155.01 17.46 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.909 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.5 98.13 7.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.949 179.819 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 4.2 m -118.55 94.09 2.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.155 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.15 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 207' ' ' LYS . . . . . . . . . . . . . 7.5 ttpp . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.828 0.347 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 208' ' ' SER . . . . . . . . . . . . . 10.8 p -175.02 154.83 1.88 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 209' ' ' PHE . . . . . . . . . . . . . 71.0 t80 -64.25 -49.15 73.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.889 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 210' ' ' PHE . . . . . . . . . . . . . 56.5 m-85 -59.95 -27.02 66.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.822 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 211' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -72.18 -44.99 62.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 212' ' ' LYS . . . . . . . . . . . . . 8.4 pttt -76.17 -20.43 57.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.869 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 213' ' ' LYS . . . . . . . . . . . . . 1.6 tppt? -88.73 -38.23 14.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.923 179.827 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 214' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -73.35 -25.44 60.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.846 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 215' ' ' SER . . . . . . . . . . . . . 38.8 p -78.18 -25.8 47.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.877 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 216' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -67.95 -49.11 63.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.837 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 217' ' ' ARG . . . . . . . . . . . . . 12.8 ptm180 -63.56 -25.87 68.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.881 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 218' ' ' ILE . . . . . . . . . . . . . 60.8 mt -84.69 -62.92 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.116 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 219' ' ' SER . . . . . . . . . . . . . 10.3 p -175.05 143.04 0.68 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.847 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 220' ' ' ASN . . . . . . . . . . . . . 10.6 p-10 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.863 -179.954 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 C--O 1.231 0.141 0 CA-C-O 120.808 0.254 . . . . 0.0 112.325 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.478 ' OD1' HG22 ' A' ' 31' ' ' VAL . 2.7 m-20 -124.43 141.14 52.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.828 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.453 HD22 HG13 ' A' ' 36' ' ' VAL . 2.5 tp -110.17 112.94 25.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.908 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.729 ' HB3' HD13 ' A' ' 39' ' ' LEU . . . 53.89 28.55 8.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.146 179.853 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 94.94 13.15 54.14 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.468 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.493 ' HB1' ' HB3' ' A' ' 35' ' ' ASP . . . -110.58 113.7 26.53 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.832 0.349 . . . . 0.0 111.062 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.478 HG22 ' OD1' ' A' ' 26' ' ' ASN . 18.4 t -91.48 -37.5 9.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.091 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.754 ' O ' HG23 ' A' ' 36' ' ' VAL . 37.4 mt-10 -71.37 143.37 50.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.876 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 37.5 t80 -58.84 -52.61 64.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.851 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.02 -37.0 42.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.89 -179.846 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.493 ' HB3' ' HB1' ' A' ' 30' ' ' ALA . 5.8 t0 -75.18 -31.51 60.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.884 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.754 HG23 ' O ' ' A' ' 32' ' ' GLU . 99.2 t -69.82 -57.41 8.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.052 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.723 ' HA ' HD12 ' A' ' 40' ' ' LEU . 6.5 pttt -55.13 -31.14 61.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.914 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 52.1 m -68.13 -38.76 82.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.09 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.729 HD13 ' HB3' ' A' ' 28' ' ' ALA . 67.0 mt -70.1 -35.29 74.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.723 HD12 ' HA ' ' A' ' 37' ' ' LYS . 6.4 mt -71.98 -47.27 53.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.938 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.654 ' HA ' HD13 ' A' ' 84' ' ' LEU . 7.8 ttpt -52.82 -44.37 66.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.871 179.795 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.788 ' O ' HG22 ' A' ' 46' ' ' THR . 11.9 pt-20 -75.91 -42.01 50.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.845 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.487 ' HD1' HD13 ' A' ' 47' ' ' ILE . 35.1 t90 -63.52 -14.82 54.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.418 HG22 ' O ' ' A' ' 44' ' ' ILE . 40.7 mt -102.33 -16.09 7.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.14 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.616 HG23 ' O ' ' A' ' 41' ' ' LYS . 74.1 p -100.04 -55.71 2.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.154 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.788 HG22 ' O ' ' A' ' 42' ' ' GLU . 13.2 t -66.32 -16.63 64.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.146 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.498 ' CD1' HG23 ' A' ' 46' ' ' THR . 3.3 mt -128.92 127.95 66.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.123 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 44.6 m -106.87 -24.32 12.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.833 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -113.86 79.13 4.41 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.609 0.719 . . . . 0.0 110.884 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 151.73 69.14 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.681 2.254 . . . . 0.0 112.326 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 74.6 mtm -101.32 163.85 12.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 45.7 tt0 -62.25 -34.97 77.54 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.877 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -66.62 -47.81 71.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.886 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -61.58 -47.56 84.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.893 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 48.8 mt -64.47 -30.41 50.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.108 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.9 mt -64.74 -38.21 90.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.915 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 5.5 mm-40 -54.01 -30.93 49.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.925 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 15.0 t -71.34 -34.87 55.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.116 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.512 HG22 ' HA ' ' A' ' 100' ' ' ILE . 98.0 t -64.46 -50.36 76.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.135 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 26.0 mmm180 -59.59 -26.83 65.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.904 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 72.5 t80 -75.5 -53.62 8.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.869 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' CYS . . . . . 0.417 ' HB2' HG21 ' A' ' 104' ' ' VAL . 21.2 m -65.11 -43.28 92.52 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.861 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.748 HG22 HG11 ' A' ' 107' ' ' VAL . 38.0 p -58.05 -28.32 64.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.159 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -74.02 -36.88 64.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.634 HD23 ' HB2' ' A' ' 74' ' ' LEU . 2.1 mp -54.02 -32.67 55.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.899 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.613 HD13 HG13 ' A' ' 107' ' ' VAL . 5.4 mt -64.85 -47.66 87.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.136 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -73.79 -34.23 64.55 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.859 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -81.83 -9.5 59.59 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.907 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 4.6 mmtm 63.76 39.92 8.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.915 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 53.6 m-20 -110.57 35.37 3.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 18.0 mt -53.27 -25.33 14.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.962 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -50.51 -46.62 57.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.923 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.788 ' HA ' HD12 ' A' ' 76' ' ' LEU . 5.8 mtpt -79.06 -22.92 44.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.89 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.634 ' HB2' HD23 ' A' ' 65' ' ' LEU . 22.5 tp -57.77 -62.18 1.98 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -54.58 -26.5 32.75 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.831 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.788 HD12 ' HA ' ' A' ' 73' ' ' LYS . 50.4 mt -76.97 -44.04 32.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.887 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.578 HG12 ' CE ' ' A' ' 81' ' ' MET . 85.2 t -71.29 -42.05 74.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.103 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.821 HG21 HD22 ' A' ' 116' ' ' LEU . 39.2 mm -59.08 -57.22 12.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.111 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.09 -34.27 75.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.892 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.63 ' CE1' HD11 ' A' ' 84' ' ' LEU . 56.5 t80 -66.13 -53.54 36.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.872 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' MET . . . . . 0.578 ' CE ' HG12 ' A' ' 77' ' ' VAL . 12.4 ptp -65.84 -27.42 68.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.873 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.89 -57.61 11.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.926 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 12.2 ptt180 -53.64 -26.84 23.98 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.873 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.654 HD13 ' HA ' ' A' ' 41' ' ' LYS . 31.4 mt -81.44 -54.09 5.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.879 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 27.5 mtt -61.03 -27.83 68.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.872 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 22.6 mm-40 -80.17 -50.0 10.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.963 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -69.17 -19.3 64.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.928 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 10.0 m -52.11 149.03 5.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.856 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 3.2 p -71.07 -32.07 46.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.16 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.66 ' HB3' HG22 ' A' ' 92' ' ' VAL . 3.0 mm-40 -85.26 125.63 33.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.916 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 9.7 p -71.53 -23.62 61.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.852 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.66 HG22 ' HB3' ' A' ' 90' ' ' GLU . 29.5 m -56.39 -24.29 18.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.162 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 24.4 m95 -65.36 -35.88 82.33 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.928 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -56.11 -39.94 72.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.908 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 23.0 mtm -70.8 -40.1 72.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -53.03 -40.83 64.2 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.096 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.665 ' CZ ' HD11 ' A' ' 101' ' ' LEU . 40.2 t80 -59.35 -47.82 83.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.891 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -64.57 -35.83 82.24 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.86 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 26.9 t80 -58.86 -44.14 90.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.895 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.512 ' HA ' HG22 ' A' ' 59' ' ' VAL . 11.6 mt -69.21 -39.36 79.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.12 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.665 HD11 ' CZ ' ' A' ' 97' ' ' PHE . 25.7 mt -68.51 -34.75 76.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.931 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -59.82 -26.79 66.06 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.821 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 28.3 m-80 -97.82 -40.41 8.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.417 HG21 ' HB2' ' A' ' 62' ' ' CYS . 76.3 t -71.85 -58.9 4.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.223 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.825 ' HA ' HD23 ' A' ' 108' ' ' LEU . 14.4 mm-40 -49.2 -29.24 5.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.933 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 5.3 t -71.38 -56.15 11.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.174 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.748 HG11 HG22 ' A' ' 63' ' ' THR . 5.8 p -65.01 -26.06 39.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.131 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.864 HD21 ' HA ' ' A' ' 115' ' ' THR . 0.1 OUTLIER -74.21 -38.55 63.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.951 179.874 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 15.5 mt-30 -67.1 -41.3 86.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.926 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 53.5 mt-30 -63.78 -14.91 56.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.866 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 60.5 m -95.81 -60.6 1.61 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.12 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' TYR . . . . . 0.49 ' CE1' HG23 ' A' ' 66' ' ' ILE . 11.3 m-85 -102.66 -42.7 5.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.948 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 111.58 -14.54 27.33 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.486 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 114' ' ' SER . . . . . 0.595 ' O ' HD11 ' A' ' 108' ' ' LEU . 36.3 m -93.33 -175.77 3.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.968 0.413 . . . . 0.0 110.837 -179.757 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 115' ' ' THR . . . . . 0.864 ' HA ' HD21 ' A' ' 108' ' ' LEU . 70.8 p -152.68 -178.03 6.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.159 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.821 HD22 HG21 ' A' ' 78' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--N 1.327 -0.391 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.903 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 208' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.906 0.384 . . . . 0.0 110.835 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 209' ' ' PHE . . . . . 0.45 ' CD1' HD11 ' A' ' 47' ' ' ILE . 81.6 t80 -53.98 -40.98 67.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.896 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 210' ' ' PHE . . . . . 0.441 ' CD1' ' HB2' ' A' ' 28' ' ' ALA . 18.4 m-85 -65.05 -26.55 68.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.849 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 211' ' ' ASP . . . . . . . . . . . . . 42.3 t0 -75.3 -46.71 31.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.906 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 212' ' ' LYS . . . . . . . . . . . . . 10.4 pttt -72.17 -24.89 61.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.885 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 213' ' ' LYS . . . . . . . . . . . . . 4.7 tppt? -82.96 -45.25 14.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.908 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 214' ' ' ARG . . . . . . . . . . . . . 43.4 ptt85 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.856 179.935 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo . . . . . 0 N--CA 1.465 -0.188 0 CA-C-O 120.771 0.238 . . . . 0.0 112.375 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.49 ' OD1' HG22 ' A' ' 31' ' ' VAL . 5.6 m-20 -119.18 135.28 54.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.875 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.504 HD21 HD21 ' A' ' 40' ' ' LEU . 8.5 tp -110.38 113.68 26.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.906 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.458 ' HB2' ' HB3' ' B' ' 210' ' ' PHE . . . 55.98 25.91 9.32 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.052 179.756 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 95.1 13.1 53.92 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.528 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.562 ' HB2' HD11 ' A' ' 39' ' ' LEU . . . -107.73 113.87 27.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.842 0.353 . . . . 0.0 111.106 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.49 HG22 ' OD1' ' A' ' 26' ' ' ASN . 22.4 t -93.27 -30.01 4.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.117 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.755 ' O ' HG23 ' A' ' 36' ' ' VAL . 63.5 mt-10 -77.56 142.41 39.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.852 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 37.3 t80 -57.79 -52.91 63.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.869 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.6 p -51.68 -36.6 47.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.859 -179.794 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 61.3 m-20 -75.38 -30.5 60.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.863 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.755 HG23 ' O ' ' A' ' 32' ' ' GLU . 96.5 t -70.26 -57.2 8.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.113 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.759 ' HA ' HD12 ' A' ' 40' ' ' LEU . 5.2 pttt -55.38 -30.57 60.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.924 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 51.7 m -65.92 -45.95 80.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.128 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.562 HD11 ' HB2' ' A' ' 30' ' ' ALA . 8.7 mt -64.82 -32.87 74.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.926 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.759 HD12 ' HA ' ' A' ' 37' ' ' LYS . 11.8 mt -72.06 -48.92 40.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.912 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.668 ' HA ' HD13 ' A' ' 84' ' ' LEU . 0.1 OUTLIER -52.77 -41.71 64.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.904 179.782 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.777 ' O ' HG22 ' A' ' 46' ' ' THR . 23.9 pt-20 -77.35 -41.98 38.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.858 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.507 ' HD1' HD13 ' A' ' 47' ' ' ILE . 35.3 t90 -64.04 -14.83 57.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.888 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.465 HG22 ' O ' ' A' ' 44' ' ' ILE . 34.8 mt -102.51 -12.38 8.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.125 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.574 HG23 ' O ' ' A' ' 41' ' ' LYS . 74.1 p -104.93 -55.48 2.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.126 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.777 HG22 ' O ' ' A' ' 42' ' ' GLU . 12.7 t -67.86 -17.46 64.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.217 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.507 HD13 ' HD1' ' A' ' 43' ' ' TRP . 3.4 mt -127.95 127.24 67.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.183 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -106.87 -25.39 11.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.897 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -115.07 80.33 6.91 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.715 0.769 . . . . 0.0 110.878 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 157.8 59.09 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.669 2.246 . . . . 0.0 112.316 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 32.9 mtm -106.25 160.18 15.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.885 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -56.22 -34.16 66.05 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.944 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 -66.68 -51.51 55.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.891 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -57.06 -49.15 76.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.9 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 60.8 mt -62.91 -31.83 53.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.106 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' A' ' 56' ' ' LEU . 10.4 mt -64.65 -40.08 94.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.905 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 43.5 mt-30 -54.03 -29.97 45.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.865 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 14.3 t -72.98 -34.78 46.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.141 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.52 HG22 ' HA ' ' A' ' 100' ' ' ILE . 94.1 t -64.69 -46.87 91.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.093 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -62.14 -32.41 73.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.861 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.401 ' CZ ' HG11 ' A' ' 36' ' ' VAL . 43.2 t80 -71.29 -48.92 47.83 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.875 -179.864 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' CYS . . . . . 0.409 ' HB2' HG21 ' A' ' 104' ' ' VAL . 15.3 m -67.88 -44.93 75.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.839 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.768 HG22 HG11 ' A' ' 107' ' ' VAL . 40.2 p -59.64 -25.09 64.4 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.158 -179.774 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -74.07 -36.7 64.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.919 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.654 HD23 ' HB2' ' A' ' 74' ' ' LEU . 1.3 mp -54.18 -38.05 65.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.913 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.61 HD13 HG13 ' A' ' 107' ' ' VAL . 5.7 mt -61.39 -45.21 99.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.097 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 35.2 mm-40 -73.7 -36.62 65.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.885 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -83.44 -0.67 51.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.868 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 55.56 40.78 31.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.906 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -112.07 32.97 5.12 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.815 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.649 HD11 ' CE2' ' A' ' 112' ' ' TYR . 31.0 mt -51.95 -24.41 6.43 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.964 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -49.93 -45.49 51.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.941 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.723 ' HA ' HD12 ' A' ' 76' ' ' LEU . 4.6 mttt -79.41 -24.47 42.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.877 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.654 ' HB2' HD23 ' A' ' 65' ' ' LEU . 32.2 tp -55.44 -60.73 3.01 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.889 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -54.16 -27.04 31.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.849 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.723 HD12 ' HA ' ' A' ' 73' ' ' LYS . 53.9 mt -76.87 -46.83 23.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.921 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.569 HG12 ' CE ' ' A' ' 81' ' ' MET . 90.6 t -68.86 -38.94 79.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.126 179.864 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.971 HG21 HD22 ' A' ' 116' ' ' LEU . 34.9 mm -63.2 -57.79 10.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.156 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.46 -32.25 72.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.874 179.85 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.591 ' CE1' HD11 ' A' ' 84' ' ' LEU . 53.7 t80 -67.03 -55.89 12.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.868 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' MET . . . . . 0.569 ' CE ' HG12 ' A' ' 77' ' ' VAL . 12.3 ptp -63.93 -27.36 69.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.842 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.39 -57.48 12.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.878 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 3.4 ptm180 -53.85 -26.18 23.23 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.86 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.668 HD13 ' HA ' ' A' ' 41' ' ' LYS . 52.6 mt -81.92 -53.23 6.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 20.2 mtt -62.8 -25.93 68.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.891 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 20.6 mm-40 -83.32 -46.0 13.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.851 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -74.99 -7.85 54.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.93 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 96.6 p -57.57 -178.44 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.813 -179.775 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.4 HG13 ' HG2' ' A' ' 90' ' ' GLU . 2.7 p -104.36 -31.67 2.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.135 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.658 ' HB3' HG22 ' A' ' 92' ' ' VAL . 7.2 mm-40 -90.35 120.9 31.87 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.939 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.1 t -61.84 -19.33 62.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.807 -179.739 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.658 HG22 ' HB3' ' A' ' 90' ' ' GLU . 26.4 m -60.77 -31.48 49.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.132 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 10.7 m95 -59.83 -38.79 83.02 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.888 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -56.55 -35.47 68.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.903 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 22.0 mtm -72.49 -40.9 66.53 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.88 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -52.95 -39.97 63.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.073 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.667 ' CZ ' HD11 ' A' ' 101' ' ' LEU . 40.8 t80 -59.99 -48.29 82.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.898 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -63.32 -37.14 86.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.894 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 21.9 t80 -59.01 -46.89 87.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.953 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.52 ' HA ' HG22 ' A' ' 59' ' ' VAL . 16.7 mt -65.66 -38.31 82.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.103 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.667 HD11 ' CZ ' ' A' ' 97' ' ' PHE . 24.2 mt -70.33 -33.68 71.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.899 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -60.07 -26.69 66.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.823 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -97.95 -39.66 8.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.926 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.43 HG23 ' O ' ' A' ' 100' ' ' ILE . 80.0 t -72.62 -58.74 4.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.129 179.859 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.818 ' HA ' HD23 ' A' ' 108' ' ' LEU . 12.8 mm-40 -49.02 -29.25 4.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 7.4 t -71.43 -55.95 12.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.151 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.768 HG11 HG22 ' A' ' 63' ' ' THR . 5.9 p -65.17 -26.37 39.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.167 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.883 HD21 ' HA ' ' A' ' 115' ' ' THR . 0.1 OUTLIER -74.28 -38.64 63.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.879 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -67.09 -40.66 86.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.937 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 56.0 mt-30 -64.07 -15.1 58.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.883 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 52.7 m -95.7 -60.73 1.59 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.136 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 112' ' ' TYR . . . . . 0.649 ' CE2' HD11 ' A' ' 71' ' ' LEU . 6.3 m-85 -102.54 -42.47 5.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.994 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 111.41 -14.51 27.76 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.678 -0.773 . . . . 0.0 112.42 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 114' ' ' SER . . . . . 0.577 ' O ' HD11 ' A' ' 108' ' ' LEU . 0.8 OUTLIER -93.01 -176.33 4.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.012 0.434 . . . . 0.0 110.79 -179.666 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 115' ' ' THR . . . . . 0.883 ' HA ' HD21 ' A' ' 108' ' ' LEU . 75.0 p -152.53 176.75 11.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.165 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.971 HD22 HG21 ' A' ' 78' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.859 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 208' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.916 0.389 . . . . 0.0 110.833 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 209' ' ' PHE . . . . . 0.492 ' CD1' HD11 ' A' ' 47' ' ' ILE . 61.4 t80 -65.25 -58.62 5.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.921 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 210' ' ' PHE . . . . . 0.458 ' HB3' ' HB2' ' A' ' 28' ' ' ALA . 30.9 m-85 -57.37 -24.62 56.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.885 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 211' ' ' ASP . . . . . . . . . . . . . 66.0 m-20 -76.51 -44.26 35.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.825 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 212' ' ' LYS . . . . . . . . . . . . . 16.0 ptmt -77.43 -18.98 56.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 213' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.79 -46.31 9.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.845 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 214' ' ' ARG . . . . . . . . . . . . . 15.2 ptt180 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.831 -179.928 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo . . . . . 0 C--O 1.231 0.132 0 CA-C-O 120.804 0.252 . . . . 0.0 112.298 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.496 ' OD1' HG22 ' A' ' 31' ' ' VAL . 2.7 m-20 -126.2 135.24 51.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.878 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.541 HD21 HD21 ' A' ' 40' ' ' LEU . 9.1 tp -106.44 110.88 23.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.922 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 55.32 28.19 11.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.146 179.789 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 95.04 12.79 54.74 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.477 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.472 ' HB2' HD11 ' A' ' 39' ' ' LEU . . . -108.22 110.76 22.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.815 0.341 . . . . 0.0 111.065 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.496 HG22 ' OD1' ' A' ' 26' ' ' ASN . 21.3 t -91.89 -25.52 5.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.104 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.708 ' O ' HG23 ' A' ' 36' ' ' VAL . 22.7 mt-10 -82.83 140.4 32.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.832 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 44.8 t80 -55.96 -53.67 54.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.871 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.49 -36.45 44.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.926 -179.806 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 47.8 t0 -75.06 -31.49 61.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.881 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.708 HG23 ' O ' ' A' ' 32' ' ' GLU . 97.2 t -69.72 -56.77 10.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.108 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.789 ' HA ' HD12 ' A' ' 40' ' ' LEU . 6.6 pttt -55.5 -31.81 62.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.903 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 54.6 m -64.81 -45.54 85.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.182 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.472 HD11 ' HB2' ' A' ' 30' ' ' ALA . 13.8 mt -64.85 -32.69 74.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.919 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.789 HD12 ' HA ' ' A' ' 37' ' ' LYS . 10.3 mt -72.56 -49.98 28.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.935 179.822 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.645 ' HA ' HD13 ' A' ' 84' ' ' LEU . 0.4 OUTLIER -52.62 -40.82 63.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.872 179.865 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.787 ' O ' HG22 ' A' ' 46' ' ' THR . 26.5 pt-20 -77.14 -36.78 55.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.889 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.556 ' HD1' HD13 ' A' ' 47' ' ' ILE . 29.5 t90 -70.36 -15.1 62.82 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.973 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.639 HG22 ' O ' ' A' ' 44' ' ' ILE . 19.3 mt -106.16 6.38 10.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.149 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.516 HG23 ' O ' ' A' ' 41' ' ' LYS . 44.6 p -122.35 -54.81 1.87 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.187 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.787 HG22 ' O ' ' A' ' 42' ' ' GLU . 13.5 t -74.47 -6.92 51.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.2 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.556 HD13 ' HD1' ' A' ' 43' ' ' TRP . 3.2 mt -136.74 128.65 43.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.096 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.3 p -106.85 -25.36 11.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.828 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -112.25 78.44 2.5 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.593 0.711 . . . . 0.0 110.909 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 137.24 34.96 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.645 2.23 . . . . 0.0 112.348 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 10.9 ttm -86.65 156.54 19.96 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.823 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.452 ' O ' HD23 ' A' ' 56' ' ' LEU . 7.1 tt0 -57.13 -50.36 73.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.926 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 28.2 tp10 -51.79 -33.55 35.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.934 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -75.24 -39.72 59.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.818 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 60.1 mt -68.18 -44.4 84.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.168 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.452 HD23 ' O ' ' A' ' 52' ' ' GLU . 4.2 mm? -51.65 -38.51 55.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -54.24 -31.8 54.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.932 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 13.2 t -73.22 -34.51 44.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.139 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.441 ' O ' HG23 ' A' ' 63' ' ' THR . 98.8 t -66.3 -49.92 72.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.097 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 19.1 mmt180 -59.63 -27.28 66.19 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.814 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 72.6 t80 -74.94 -53.9 8.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.956 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' CYS . . . . . 0.424 ' HB2' HG21 ' A' ' 104' ' ' VAL . 19.5 m -64.77 -43.45 93.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.899 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.743 HG22 HG11 ' A' ' 107' ' ' VAL . 40.6 p -58.83 -27.27 64.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.159 -179.856 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -74.05 -36.41 64.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.85 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.634 HD23 ' HB2' ' A' ' 74' ' ' LEU . 1.7 mp -54.17 -36.92 63.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.926 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.6 HD13 HG13 ' A' ' 107' ' ' VAL . 5.6 mt -60.8 -47.32 93.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.131 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -73.83 -33.26 64.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.935 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -84.58 -1.87 56.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.852 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 4.3 mmmm 56.61 41.17 28.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -112.2 32.77 5.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.86 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.596 HD21 ' HA ' ' A' ' 66' ' ' ILE . 20.4 mt -53.14 -23.92 9.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.922 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -50.5 -47.14 57.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.856 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.726 ' HA ' HD12 ' A' ' 76' ' ' LEU . 0.6 OUTLIER -78.8 -23.42 45.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.634 ' HB2' HD23 ' A' ' 65' ' ' LEU . 22.7 tp -55.78 -61.87 2.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.921 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.46 ' OD1' HD21 ' A' ' 116' ' ' LEU . 1.1 m-20 -53.74 -27.24 27.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.869 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.726 HD12 ' HA ' ' A' ' 73' ' ' LYS . 52.5 mt -76.5 -45.42 31.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.98 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.501 HG12 ' CE ' ' A' ' 81' ' ' MET . 90.5 t -69.76 -39.29 77.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.107 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.43 ' HA ' ' HE3' ' A' ' 81' ' ' MET . 37.6 mm -63.09 -57.52 11.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.176 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.22 -33.07 72.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.858 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.615 ' CE1' HD11 ' A' ' 84' ' ' LEU . 55.1 t80 -66.35 -56.31 11.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.923 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' MET . . . . . 0.501 ' CE ' HG12 ' A' ' 77' ' ' VAL . 12.3 ptp -63.39 -27.18 69.13 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.942 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.89 -57.39 12.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.914 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 2.9 ptm180 -54.5 -26.16 29.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.84 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.645 HD13 ' HA ' ' A' ' 41' ' ' LYS . 58.2 mt -81.38 -54.38 5.52 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.901 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 25.8 mtt -61.74 -28.46 69.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.92 179.827 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 22.4 mm-40 -79.07 -47.49 16.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -72.18 -17.98 61.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.918 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 3.6 m -51.98 153.59 2.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.8 -179.777 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 3.8 p -76.28 -32.74 22.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.164 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.675 ' HB3' HG12 ' A' ' 92' ' ' VAL . 2.1 mm-40 -86.07 129.53 34.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.92 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 52.0 p -71.47 -25.93 62.5 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.868 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.675 HG12 ' HB3' ' A' ' 90' ' ' GLU . 11.3 p -54.82 -27.32 18.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.167 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 19.4 m95 -63.77 -37.76 88.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.912 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 8.3 m-80 -59.17 -35.29 73.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.912 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 21.3 mtm -72.33 -41.26 66.7 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.928 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -53.1 -40.04 63.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.11 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.66 ' CZ ' HD11 ' A' ' 101' ' ' LEU . 38.8 t80 -58.58 -51.4 70.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.866 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -61.14 -38.3 85.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 25.8 t80 -57.77 -47.76 81.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.902 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.422 ' HA ' HG22 ' A' ' 59' ' ' VAL . 19.5 mt -65.22 -39.97 87.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.104 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.66 HD11 ' CZ ' ' A' ' 97' ' ' PHE . 22.7 mt -67.84 -34.91 77.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.879 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -59.56 -25.4 64.53 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 29.3 m-80 -97.98 -42.04 7.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.84 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.424 HG21 ' HB2' ' A' ' 62' ' ' CYS . 74.8 t -71.14 -58.4 5.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.091 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.818 ' HA ' HD23 ' A' ' 108' ' ' LEU . 15.9 mm-40 -49.19 -29.15 5.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.938 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 5.9 t -71.69 -55.67 12.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.177 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.743 HG11 HG22 ' A' ' 63' ' ' THR . 5.2 p -65.47 -26.5 39.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.065 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.864 HD21 ' HA ' ' A' ' 115' ' ' THR . 0.1 OUTLIER -74.27 -38.57 63.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 179.95 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 109' ' ' GLN . . . . . 0.402 ' N ' ' HG ' ' A' ' 108' ' ' LEU . 26.1 mt-30 -67.54 -41.21 84.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.936 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 -64.04 -14.79 56.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.92 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 71.4 m -95.55 -60.85 1.57 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.164 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 112' ' ' TYR . . . . . 0.534 ' CE1' HD11 ' A' ' 71' ' ' LEU . 11.3 m-85 -102.17 -42.6 6.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.924 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 111.86 -14.39 26.69 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.528 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 114' ' ' SER . . . . . 0.585 ' O ' HD11 ' A' ' 108' ' ' LEU . 1.2 t -93.98 -174.72 3.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.956 0.408 . . . . 0.0 110.838 -179.74 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 115' ' ' THR . . . . . 0.864 ' HA ' HD21 ' A' ' 108' ' ' LEU . 74.9 p -152.64 -179.5 7.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.217 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.46 HD21 ' OD1' ' A' ' 75' ' ' ASP . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.855 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 208' ' ' SER . . . . . . . . . . . . . 1.1 p . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.855 0.36 . . . . 0.0 110.84 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 209' ' ' PHE . . . . . . . . . . . . . 42.1 t80 -67.48 -37.95 83.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.912 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 210' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -65.93 -24.54 66.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.891 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 211' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -75.16 -41.02 59.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 212' ' ' LYS . . . . . . . . . . . . . 11.8 ptmt -77.73 -18.55 56.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.931 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 213' ' ' LYS . . . . . . . . . . . . . 2.0 tmtt? -88.0 -41.23 13.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.906 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 214' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.815 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 N--CA 1.466 -0.131 0 CA-C-O 120.811 0.254 . . . . 0.0 112.341 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.407 ' OD1' HG22 ' A' ' 31' ' ' VAL . 2.5 m-20 -125.27 139.36 53.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.92 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.424 HD22 HG13 ' A' ' 36' ' ' VAL . 10.6 tp -105.72 113.56 27.2 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.936 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 55.37 27.57 10.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.038 179.806 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 94.42 12.99 55.35 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.519 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.557 ' HB2' HD11 ' A' ' 39' ' ' LEU . . . -105.5 111.89 24.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.743 0.306 . . . . 0.0 111.101 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.407 HG22 ' OD1' ' A' ' 26' ' ' ASN . 37.4 t -91.03 -32.18 5.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.13 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.523 ' O ' HG23 ' A' ' 36' ' ' VAL . 8.7 mt-10 -80.26 137.74 36.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.949 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 41.7 t80 -53.35 -50.89 64.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -51.99 -37.02 51.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.864 -179.795 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 80.7 m-20 -74.41 -29.88 61.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.901 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.565 HG21 ' OH ' ' A' ' 61' ' ' TYR . 96.3 t -71.51 -56.07 11.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.068 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.671 ' HA ' HD12 ' A' ' 40' ' ' LEU . 5.7 pttt -57.14 -30.37 64.37 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 57.5 m -69.5 -37.71 77.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.134 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.557 HD11 ' HB2' ' A' ' 30' ' ' ALA . 21.0 mt -70.2 -36.05 74.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.927 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.671 HD12 ' HA ' ' A' ' 37' ' ' LYS . 5.7 mt -72.22 -45.94 58.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.874 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.647 ' HA ' HD13 ' A' ' 84' ' ' LEU . 10.8 ttpt -53.24 -42.7 66.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.872 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.783 ' O ' HG22 ' A' ' 46' ' ' THR . 13.0 pt-20 -77.22 -42.26 38.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.833 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.503 ' HD1' HD13 ' A' ' 47' ' ' ILE . 35.6 t90 -63.65 -14.56 53.01 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.863 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.426 HG22 ' O ' ' A' ' 44' ' ' ILE . 45.1 mt -102.57 -15.26 7.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.048 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.591 HG23 ' O ' ' A' ' 41' ' ' LYS . 74.4 p -101.41 -55.89 2.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.128 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.783 HG22 ' O ' ' A' ' 42' ' ' GLU . 12.9 t -66.27 -16.41 64.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.138 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.627 HD11 ' CD1' ' B' ' 209' ' ' PHE . 3.3 mt -128.76 127.01 66.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.128 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -106.7 -25.57 11.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.835 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -112.65 78.32 2.73 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.553 0.692 . . . . 0.0 110.8 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 148.87 66.03 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.729 2.286 . . . . 0.0 112.325 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 18.3 mtm -95.38 155.89 16.55 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -55.07 -40.28 70.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.908 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -64.79 -49.23 71.51 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.888 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -55.26 -43.75 74.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.458 HG23 HD11 ' A' ' 100' ' ' ILE . 60.4 mt -69.26 -30.94 47.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.182 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.7 mt -64.29 -36.25 83.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.917 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 3.1 mm100 -54.6 -31.31 56.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.953 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 14.6 t -71.8 -34.62 52.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.142 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.52 HG22 ' HA ' ' A' ' 100' ' ' ILE . 92.9 t -63.03 -52.15 62.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.099 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 25.1 mmt180 -59.6 -25.81 64.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.86 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.565 ' OH ' HG21 ' A' ' 36' ' ' VAL . 74.2 t80 -75.27 -52.24 11.34 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.953 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 39.5 m -67.27 -46.24 74.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.88 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.768 HG22 HG11 ' A' ' 107' ' ' VAL . 35.0 p -52.84 -28.17 21.67 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.122 -179.872 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 58.9 m-20 -73.68 -38.6 64.84 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.837 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.826 HD23 ' HB2' ' A' ' 74' ' ' LEU . 1.0 OUTLIER -54.08 -31.72 52.7 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.892 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.622 HD13 HG13 ' A' ' 107' ' ' VAL . 5.6 mt -66.82 -49.64 72.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.041 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 48.3 mm-40 -73.17 -24.24 60.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.911 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -90.85 -10.95 40.8 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.889 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 59.4 mmtt 64.66 42.18 4.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.95 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -114.4 37.41 3.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.865 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 22.5 mt -57.67 -17.97 17.92 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.939 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -50.25 -55.7 14.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.961 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.678 ' HA ' HD12 ' A' ' 76' ' ' LEU . 0.0 OUTLIER -78.59 -22.38 47.18 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.93 179.93 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.826 ' HB2' HD23 ' A' ' 65' ' ' LEU . 44.3 tp -54.42 -57.27 11.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.92 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.78 -26.6 64.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.915 179.833 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.678 HD12 ' HA ' ' A' ' 73' ' ' LYS . 56.6 mt -76.79 -43.45 36.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.49 HG12 ' CE ' ' A' ' 81' ' ' MET . 92.6 t -69.03 -39.46 79.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.158 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.867 HG21 HD22 ' A' ' 116' ' ' LEU . 34.4 mm -63.16 -57.71 10.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.124 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.19 -32.17 71.93 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.637 ' CE1' HD11 ' A' ' 84' ' ' LEU . 60.3 t80 -67.36 -56.43 9.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.936 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' MET . . . . . 0.573 ' HA ' HD12 ' A' ' 84' ' ' LEU . 11.7 ptp -62.68 -27.52 69.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.89 179.85 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.52 -57.73 11.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 3.5 ptm180 -54.41 -25.67 26.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.869 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.647 HD13 ' HA ' ' A' ' 41' ' ' LYS . 43.1 mt -81.62 -53.65 6.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.927 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 19.4 mtt -63.31 -26.08 68.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.944 179.815 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 19.1 mm-40 -81.91 -42.18 19.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.919 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -80.6 -5.54 56.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 92.9 p -57.36 -179.17 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.824 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 2.7 p -104.18 -32.59 2.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.137 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.772 ' HB3' HG12 ' A' ' 92' ' ' VAL . 68.4 mm-40 -91.92 119.48 31.72 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.801 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -56.66 -24.98 52.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.8 -179.772 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.772 HG12 ' HB3' ' A' ' 90' ' ' GLU . 14.0 p -54.78 -32.06 25.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.098 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 7.9 m95 -61.25 -37.64 83.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.881 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 7.4 m120 -57.79 -38.46 75.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.909 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 33.8 mtm -72.47 -38.1 68.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.859 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -53.08 -43.48 66.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.12 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.663 ' CZ ' HD11 ' A' ' 101' ' ' LEU . 39.1 t80 -57.52 -46.64 83.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.953 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -65.32 -36.12 83.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.892 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 23.6 t80 -59.14 -43.23 92.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.52 ' HA ' HG22 ' A' ' 59' ' ' VAL . 13.1 mt -70.21 -38.51 74.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.102 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.663 HD11 ' CZ ' ' A' ' 97' ' ' PHE . 24.0 mt -69.41 -34.25 74.21 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.893 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -60.34 -27.3 67.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.864 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 9.1 m-80 -97.86 -38.61 9.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.944 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.458 HG23 ' O ' ' A' ' 100' ' ' ILE . 79.2 t -73.2 -59.07 3.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.16 179.831 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.829 ' HA ' HD23 ' A' ' 108' ' ' LEU . 14.4 mm-40 -49.18 -29.25 5.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 5.1 t -70.59 -57.06 8.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.187 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.768 HG11 HG22 ' A' ' 63' ' ' THR . 5.6 p -64.52 -25.28 37.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.144 179.852 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.865 HD21 ' HA ' ' A' ' 115' ' ' THR . 0.1 OUTLIER -74.41 -38.99 62.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 -179.964 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 109' ' ' GLN . . . . . 0.4 ' N ' ' HG ' ' A' ' 108' ' ' LEU . 23.0 mt-30 -66.89 -41.44 87.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.922 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -63.2 -15.52 57.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.904 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 57.1 m -95.67 -60.89 1.55 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.114 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -102.16 -43.03 5.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.86 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 111.48 -14.37 27.63 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.448 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 114' ' ' SER . . . . . 0.578 ' O ' HD11 ' A' ' 108' ' ' LEU . 1.2 t -93.21 -176.39 4.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.971 0.415 . . . . 0.0 110.89 -179.779 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 115' ' ' THR . . . . . 0.865 ' HA ' HD21 ' A' ' 108' ' ' LEU . 70.8 p -152.74 -178.02 6.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.093 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.867 HD22 HG21 ' A' ' 78' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.945 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 208' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.923 0.392 . . . . 0.0 110.822 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 209' ' ' PHE . . . . . 0.627 ' CD1' HD11 ' A' ' 47' ' ' ILE . 70.7 t80 -56.02 -47.58 77.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.89 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 210' ' ' PHE . . . . . . . . . . . . . 40.2 m-85 -59.66 -24.36 63.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.854 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 211' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -76.73 -44.29 33.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.857 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 212' ' ' LYS . . . . . . . . . . . . . 11.6 pttt -77.37 -18.79 57.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.892 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 213' ' ' LYS . . . . . . . . . . . . . 8.7 tmtt? -86.67 -44.77 11.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.898 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 214' ' ' ARG . . . . . . . . . . . . . 38.4 ptt85 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.86 179.986 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 N--CA 1.465 -0.158 0 CA-C-O 120.733 0.222 . . . . 0.0 112.302 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.437 ' OD1' HG22 ' A' ' 31' ' ' VAL . 4.3 m-20 -118.3 136.36 53.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.902 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.552 HD12 ' CG ' ' A' ' 61' ' ' TYR . 0.5 OUTLIER -107.19 114.94 29.3 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.954 179.919 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.537 ' HB3' HD13 ' A' ' 39' ' ' LEU . . . 56.56 29.01 14.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.116 179.775 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 90.56 12.97 60.36 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.426 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.543 ' HB2' HD11 ' A' ' 39' ' ' LEU . . . -107.78 117.4 34.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.862 0.363 . . . . 0.0 111.065 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.437 HG22 ' OD1' ' A' ' 26' ' ' ASN . 21.9 t -93.64 -45.26 13.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.069 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.644 ' O ' HG23 ' A' ' 36' ' ' VAL . 15.7 mt-10 -67.14 136.82 55.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.879 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 31.1 t80 -52.55 -51.52 59.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.822 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 74.2 p -51.71 -37.13 49.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.799 -179.727 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 68.6 m-20 -74.52 -29.47 61.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.853 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.644 HG23 ' O ' ' A' ' 32' ' ' GLU . 40.8 t -71.26 -56.88 9.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.184 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.75 ' HA ' HD12 ' A' ' 40' ' ' LEU . 3.0 ptmt -56.32 -34.56 66.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.947 179.842 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 51.7 m -62.99 -40.08 96.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.127 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.543 HD11 ' HB2' ' A' ' 30' ' ' ALA . 44.1 mt -66.56 -36.75 83.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.957 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.75 HD12 ' HA ' ' A' ' 37' ' ' LYS . 5.8 mt -71.95 -46.06 58.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.928 179.849 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.63 ' HA ' HD13 ' A' ' 84' ' ' LEU . 12.0 ttpt -52.7 -43.29 65.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.844 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.779 ' O ' HG22 ' A' ' 46' ' ' THR . 13.6 pt-20 -77.26 -42.83 35.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.834 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.493 ' HD1' HD13 ' A' ' 47' ' ' ILE . 38.9 t90 -63.58 -14.94 56.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.873 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.443 HG22 ' O ' ' A' ' 44' ' ' ILE . 53.3 mt -101.94 -14.68 8.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.128 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.572 HG23 ' O ' ' A' ' 41' ' ' LYS . 69.6 p -102.65 -55.86 2.36 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.136 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.779 HG22 ' O ' ' A' ' 42' ' ' GLU . 12.8 t -65.61 -16.71 63.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.1 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.506 HD11 ' CD1' ' B' ' 209' ' ' PHE . 3.3 mt -127.91 133.98 66.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.156 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -107.37 -33.11 7.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.805 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -110.75 82.68 3.07 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.523 0.678 . . . . 0.0 110.791 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 144.55 54.16 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.627 2.218 . . . . 0.0 112.377 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 9.0 ttp -89.09 159.76 17.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.896 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 81.0 tt0 -56.49 -51.44 68.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.92 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 66.7 mm-40 -52.31 -50.95 61.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.911 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -55.17 -47.11 75.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.905 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.405 HG23 HD11 ' A' ' 100' ' ' ILE . 57.1 mt -65.71 -30.77 51.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.151 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 7.1 mt -66.61 -35.54 80.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.955 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 3.5 mm-40 -54.1 -31.73 52.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.864 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 13.9 t -71.66 -34.64 52.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.112 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.496 HG22 ' HA ' ' A' ' 100' ' ' ILE . 97.5 t -63.77 -52.89 51.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.099 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 12.7 mmm180 -59.44 -26.56 65.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.89 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.552 ' CG ' HD12 ' A' ' 27' ' ' LEU . 72.1 t80 -75.53 -53.78 8.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.973 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' CYS . . . . . 0.421 ' HB2' HG21 ' A' ' 104' ' ' VAL . 17.6 m -65.44 -43.44 90.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.918 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.754 HG22 HG11 ' A' ' 107' ' ' VAL . 39.4 p -56.9 -27.15 60.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.132 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 62.0 m-20 -74.21 -37.25 63.92 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.819 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.62 HD23 ' HB2' ' A' ' 74' ' ' LEU . 1.9 mp -54.52 -33.74 60.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.856 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.601 HD13 HG13 ' A' ' 107' ' ' VAL . 5.4 mt -63.88 -47.89 88.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.119 179.841 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -73.73 -33.08 64.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.829 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -82.89 -8.43 59.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.829 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 3.2 mmmt 63.3 38.8 10.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -109.98 35.68 3.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.91 179.832 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.45 HD11 ' CZ ' ' A' ' 112' ' ' TYR . 19.3 mt -53.27 -24.88 12.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.904 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -50.46 -47.79 56.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.845 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.782 ' HA ' HD12 ' A' ' 76' ' ' LEU . 5.5 mtpt -78.73 -22.63 46.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.62 ' HB2' HD23 ' A' ' 65' ' ' LEU . 24.0 tp -58.02 -61.72 2.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.92 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.517 ' HA ' HD11 ' A' ' 116' ' ' LEU . 1.2 m-20 -54.27 -27.02 32.28 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.852 179.836 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.782 HD12 ' HA ' ' A' ' 73' ' ' LYS . 47.3 mt -76.72 -47.73 20.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.906 -179.878 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.492 HG23 ' O ' ' A' ' 73' ' ' LYS . 87.1 t -68.2 -37.75 78.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.12 179.822 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.705 HG21 HD22 ' A' ' 116' ' ' LEU . 33.7 mm -65.1 -57.34 11.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.155 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.83 -30.36 70.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.875 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.622 ' CE1' HD11 ' A' ' 84' ' ' LEU . 56.8 t80 -68.48 -56.72 7.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.907 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' MET . . . . . 0.475 ' HA ' HD12 ' A' ' 84' ' ' LEU . 12.9 ptp -62.35 -27.36 69.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.831 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.03 -57.4 13.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.934 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 3.7 ptm180 -54.66 -26.35 32.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.864 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.63 HD13 ' HA ' ' A' ' 41' ' ' LYS . 66.4 mt -80.72 -54.66 5.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.914 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 26.9 mtt -62.01 -28.63 69.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.844 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -78.84 -48.49 14.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.939 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -69.3 -19.88 63.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.951 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 21.8 m -51.75 152.96 2.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.806 -179.758 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.556 HG13 ' CD ' ' A' ' 90' ' ' GLU . 3.5 p -77.02 -33.05 20.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.211 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.556 ' CD ' HG13 ' A' ' 89' ' ' VAL . 46.8 mp0 -84.75 128.77 34.77 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.897 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 4.4 p -71.67 -24.39 61.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.839 -179.76 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.516 HG12 ' HB3' ' A' ' 90' ' ' GLU . 10.8 p -54.78 -26.33 16.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.132 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 37.4 m95 -65.66 -33.46 75.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.943 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 7.8 m-80 -60.85 -35.91 77.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.905 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 18.0 mtm -72.52 -39.8 67.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.877 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -53.48 -44.05 68.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.173 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.668 ' CZ ' HD11 ' A' ' 101' ' ' LEU . 32.1 t80 -56.57 -49.45 74.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.932 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.0 -35.89 81.73 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.819 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 19.4 t80 -60.66 -44.8 96.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.857 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.496 ' HA ' HG22 ' A' ' 59' ' ' VAL . 21.2 mt -68.78 -38.26 78.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.11 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.668 HD11 ' CZ ' ' A' ' 97' ' ' PHE . 21.3 mt -70.47 -33.98 71.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.935 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -59.79 -25.98 65.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.851 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 30.3 m-80 -97.81 -41.33 8.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.837 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.421 HG21 ' HB2' ' A' ' 62' ' ' CYS . 75.1 t -71.36 -58.5 5.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.151 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.818 ' HA ' HD23 ' A' ' 108' ' ' LEU . 14.3 mm-40 -49.04 -29.32 4.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.984 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 6.2 t -71.5 -55.41 13.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.112 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.754 HG11 HG22 ' A' ' 63' ' ' THR . 5.6 p -65.96 -25.47 36.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.14 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.855 HD21 ' HA ' ' A' ' 115' ' ' THR . 0.1 OUTLIER -74.17 -38.72 63.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.003 179.894 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -66.85 -41.11 87.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.944 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -63.36 -15.68 58.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.922 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 52.7 m -95.75 -60.48 1.64 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.145 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' TYR . . . . . 0.45 ' CZ ' HD11 ' A' ' 71' ' ' LEU . 9.5 m-85 -102.44 -43.11 5.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.97 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 111.09 -14.35 28.59 Favored Glycine 0 C--N 1.331 0.298 0 C-N-CA 120.659 -0.781 . . . . 0.0 112.498 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 114' ' ' SER . . . . . 0.59 ' O ' HD11 ' A' ' 108' ' ' LEU . 94.4 p -93.31 -177.7 4.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.941 0.4 . . . . 0.0 110.908 -179.768 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 115' ' ' THR . . . . . 0.855 ' HA ' HD21 ' A' ' 108' ' ' LEU . 82.1 p -152.64 170.81 19.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.14 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.705 HD22 HG21 ' A' ' 78' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 208' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.232 0.168 0 CA-C-O 120.818 0.342 . . . . 0.0 110.909 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 209' ' ' PHE . . . . . 0.506 ' CD1' HD11 ' A' ' 47' ' ' ILE . 65.1 t80 -61.92 -36.86 82.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 210' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 -67.66 -25.83 65.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.91 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 211' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -75.72 -42.53 50.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.834 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 212' ' ' LYS . . . . . . . . . . . . . 11.2 ptpt -77.22 -24.99 51.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.866 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 213' ' ' LYS . . . . . 0.472 ' HG2' HD22 ' A' ' 39' ' ' LEU . 0.4 OUTLIER -77.92 -34.29 51.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.905 179.895 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 214' ' ' ARG . . . . . . . . . . . . . 2.2 ptm180 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.827 -179.932 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo . . . . . 0 C--O 1.231 0.139 0 CA-C-O 120.787 0.245 . . . . 0.0 112.347 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.51 ' CG ' HG22 ' A' ' 31' ' ' VAL . 3.0 m-20 -118.38 135.31 54.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.969 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.623 HD22 HG13 ' A' ' 36' ' ' VAL . 7.5 tp -98.81 102.84 14.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.881 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.419 ' HB1' ' HB3' ' B' ' 214' ' ' ARG . . . 58.4 36.11 25.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.14 179.805 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 94.97 -7.88 70.11 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.465 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.455 ' HB2' HD11 ' A' ' 39' ' ' LEU . . . -88.66 111.14 21.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.842 0.353 . . . . 0.0 111.132 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.51 HG22 ' CG ' ' A' ' 26' ' ' ASN . 24.9 t -93.43 -37.65 8.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.141 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.561 ' O ' HG23 ' A' ' 36' ' ' VAL . 65.9 mt-10 -73.22 141.96 47.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.863 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 37.8 t80 -54.82 -51.53 65.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.896 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.8 p -52.04 -37.13 52.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.872 -179.798 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 83.3 m-20 -73.29 -29.98 63.09 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.861 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.675 HG21 ' OH ' ' A' ' 61' ' ' TYR . 97.5 t -72.01 -56.72 9.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.092 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.703 ' HA ' HD12 ' A' ' 40' ' ' LEU . 3.5 ptmt -56.43 -31.88 64.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.936 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 52.1 m -67.92 -38.45 82.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.113 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.455 HD11 ' HB2' ' A' ' 30' ' ' ALA . 65.2 mt -70.47 -35.44 73.31 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.86 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.703 HD12 ' HA ' ' A' ' 37' ' ' LYS . 6.8 mt -71.98 -46.68 56.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.925 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.675 ' HA ' HD13 ' A' ' 84' ' ' LEU . 3.5 ttpt -53.01 -43.08 66.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.836 179.827 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.775 ' O ' HG22 ' A' ' 46' ' ' THR . 12.1 pt-20 -76.89 -42.25 40.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.89 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.471 ' HD1' HD13 ' A' ' 47' ' ' ILE . 36.8 t90 -63.48 -14.84 54.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.91 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.413 HG22 ' O ' ' A' ' 44' ' ' ILE . 42.8 mt -101.93 -16.26 7.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.116 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.599 HG23 ' O ' ' A' ' 41' ' ' LYS . 77.5 p -100.26 -55.52 2.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.125 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.775 HG22 ' O ' ' A' ' 42' ' ' GLU . 13.1 t -66.45 -16.35 64.04 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.121 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.555 HD11 ' CD1' ' B' ' 209' ' ' PHE . 3.4 mt -129.67 126.24 62.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.129 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.5 m -106.87 -25.43 11.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.774 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -113.35 78.69 3.56 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.581 0.705 . . . . 0.0 110.861 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 153.01 69.25 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.707 2.271 . . . . 0.0 112.339 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 40.6 mtm -100.38 161.04 13.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.889 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -57.53 -36.4 71.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.872 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -67.38 -50.45 59.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -55.29 -51.44 66.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.777 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.487 HG23 HD11 ' A' ' 100' ' ' ILE . 57.9 mt -63.16 -30.74 50.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.157 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 5.3 mt -66.31 -37.82 86.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.883 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 83.8 mm-40 -54.11 -29.53 45.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.881 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 15.2 t -73.3 -34.65 44.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.1 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.522 HG22 ' HA ' ' A' ' 100' ' ' ILE . 97.4 t -62.0 -52.16 63.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.132 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 30.8 mmt180 -59.5 -25.24 64.29 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.877 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.675 ' OH ' HG21 ' A' ' 36' ' ' VAL . 67.8 t80 -75.55 -52.22 11.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.857 -179.821 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 42.1 m -67.25 -45.91 75.31 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.884 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.774 HG22 HG11 ' A' ' 107' ' ' VAL . 38.0 p -54.03 -27.84 34.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.1 -179.836 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 75.2 m-20 -73.73 -37.85 64.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.88 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.817 HD23 ' HB2' ' A' ' 74' ' ' LEU . 0.9 OUTLIER -54.23 -35.84 62.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.909 -179.936 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.616 HD13 HG13 ' A' ' 107' ' ' VAL . 5.2 mt -61.52 -49.3 84.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.115 179.84 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -73.18 -30.42 63.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.886 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -86.09 -2.82 58.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.964 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER 56.46 43.22 26.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.905 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -114.49 33.51 5.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.821 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.603 HD11 ' CE2' ' A' ' 112' ' ' TYR . 20.9 mt -57.06 -18.18 13.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.926 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 18.7 tp10 -49.85 -54.66 18.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.918 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.762 ' HA ' HD12 ' A' ' 76' ' ' LEU . 0.0 OUTLIER -78.56 -22.75 46.73 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.954 179.941 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.817 ' HB2' HD23 ' A' ' 65' ' ' LEU . 38.0 tp -53.16 -52.39 58.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.12 -27.89 69.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.873 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.762 HD12 ' HA ' ' A' ' 73' ' ' LYS . 36.1 mt -76.17 -39.83 53.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.906 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 90.5 t -73.31 -45.95 51.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.149 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.747 HG21 HD22 ' A' ' 116' ' ' LEU . 28.8 mm -55.83 -55.16 19.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.149 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.52 -35.7 81.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.885 179.821 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.664 ' CE1' HD11 ' A' ' 84' ' ' LEU . 52.0 t80 -64.12 -50.34 68.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.94 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' MET . . . . . 0.583 ' HA ' HD12 ' A' ' 84' ' ' LEU . 10.7 ptp -67.76 -27.51 66.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.934 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.36 -57.22 13.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.896 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 4.7 ptm180 -53.66 -27.22 26.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.675 HD13 ' HA ' ' A' ' 41' ' ' LYS . 27.9 mt -81.24 -54.07 5.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.957 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 21.1 mtt -60.66 -29.41 69.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.931 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -78.21 -50.12 12.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.865 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -69.55 -18.53 63.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 7.2 m -51.67 151.37 3.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.833 -179.772 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 3.4 p -74.09 -32.06 31.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.198 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.621 ' HB3' HG12 ' A' ' 92' ' ' VAL . 2.4 mm-40 -84.57 126.62 33.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.877 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 2.2 t -71.61 -25.89 62.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.839 -179.752 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.621 HG12 ' HB3' ' A' ' 90' ' ' GLU . 10.8 p -55.02 -26.88 18.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.086 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 14.9 m95 -61.85 -34.84 76.71 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.961 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 7.3 m-80 -57.26 -38.78 74.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.863 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 23.2 mtm -72.47 -38.79 68.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.926 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -53.09 -45.33 68.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.061 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.619 ' CZ ' HD11 ' A' ' 101' ' ' LEU . 39.7 t80 -56.68 -46.58 81.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.859 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 42.8 t0 -65.24 -35.64 81.66 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 28.1 t80 -60.12 -45.06 94.26 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.912 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.522 ' HA ' HG22 ' A' ' 59' ' ' VAL . 13.0 mt -68.58 -38.45 79.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.136 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.619 HD11 ' CZ ' ' A' ' 97' ' ' PHE . 24.2 mt -69.49 -34.21 73.99 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.97 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -60.05 -27.57 67.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.815 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 10.8 m-80 -97.74 -39.13 9.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.849 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.46 HG23 ' O ' ' A' ' 100' ' ' ILE . 78.1 t -72.65 -58.96 3.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.093 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.831 ' HA ' HD23 ' A' ' 108' ' ' LEU . 13.7 mm-40 -49.07 -29.33 4.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.948 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 5.6 t -70.63 -57.15 8.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.109 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.774 HG11 HG22 ' A' ' 63' ' ' THR . 5.4 p -64.36 -25.73 38.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.108 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.864 HD21 ' HA ' ' A' ' 115' ' ' THR . 0.1 OUTLIER -74.34 -38.75 63.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.925 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 14.9 mt-30 -67.13 -41.33 86.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.926 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 45.9 mt-30 -63.86 -14.84 56.53 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.924 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 54.6 m -96.13 -60.27 1.66 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.134 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' TYR . . . . . 0.603 ' CE2' HD11 ' A' ' 71' ' ' LEU . 11.1 m-85 -102.69 -42.82 5.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.917 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 111.44 -14.5 27.69 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.486 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 114' ' ' SER . . . . . 0.575 ' O ' HD11 ' A' ' 108' ' ' LEU . 0.9 OUTLIER -94.08 -175.29 3.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.854 0.359 . . . . 0.0 110.917 -179.773 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 115' ' ' THR . . . . . 0.864 ' HA ' HD21 ' A' ' 108' ' ' LEU . 67.2 p -152.61 176.35 11.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.13 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.747 HD22 HG21 ' A' ' 78' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.932 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 208' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.913 0.387 . . . . 0.0 110.889 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 209' ' ' PHE . . . . . 0.555 ' CD1' HD11 ' A' ' 47' ' ' ILE . 73.7 t80 -77.39 -40.81 42.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.961 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 210' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 -63.06 -25.38 68.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.86 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 211' ' ' ASP . . . . . . . . . . . . . 15.1 t0 -74.75 -47.23 32.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.86 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 212' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -70.55 -25.33 63.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 213' ' ' LYS . . . . . . . . . . . . . 10.3 tppt? -82.95 -53.37 5.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.919 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 214' ' ' ARG . . . . . 0.419 ' HB3' ' HB1' ' A' ' 28' ' ' ALA . 11.8 ptp180 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.885 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo . . . . . 0 N--CA 1.466 -0.121 0 CA-C-O 120.81 0.254 . . . . 0.0 112.344 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.456 ' OD1' HG22 ' A' ' 31' ' ' VAL . 2.0 m-20 -128.13 135.26 49.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.876 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.661 HD21 HD21 ' A' ' 40' ' ' LEU . 4.4 tp -103.07 110.86 22.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 55.11 28.05 10.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.086 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 95.03 13.11 54.13 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.492 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.502 ' HB2' HD11 ' A' ' 39' ' ' LEU . . . -108.12 110.47 22.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.865 0.364 . . . . 0.0 111.058 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.456 HG22 ' OD1' ' A' ' 26' ' ' ASN . 21.9 t -89.68 -34.02 6.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.123 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.746 ' O ' HG23 ' A' ' 36' ' ' VAL . 29.3 mt-10 -73.15 144.64 46.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.907 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 37.0 t80 -60.19 -52.77 63.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.881 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 13.5 p -52.15 -36.48 51.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.819 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 42.1 t0 -73.8 -29.66 62.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.885 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.746 HG23 ' O ' ' A' ' 32' ' ' GLU . 94.9 t -72.2 -56.28 10.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.14 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.476 ' HA ' HD12 ' A' ' 40' ' ' LEU . 3.6 ptmt -57.13 -33.51 67.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.854 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 54.2 m -65.77 -38.32 88.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.129 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.502 HD11 ' HB2' ' A' ' 30' ' ' ALA . 19.8 mt -70.43 -36.5 74.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.925 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.661 HD21 HD21 ' A' ' 27' ' ' LEU . 12.5 mt -71.86 -44.14 64.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.883 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.711 ' HA ' HD13 ' A' ' 84' ' ' LEU . 14.4 ttpt -52.0 -46.25 64.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.937 179.855 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.78 ' O ' HG22 ' A' ' 46' ' ' THR . 19.8 pt-20 -77.4 -40.6 43.08 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.83 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.482 ' HD1' HD13 ' A' ' 47' ' ' ILE . 32.2 t90 -63.07 -15.38 56.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.925 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.42 HG22 ' O ' ' A' ' 44' ' ' ILE . 45.6 mt -102.04 -15.6 7.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.142 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.605 HG23 ' O ' ' A' ' 41' ' ' LYS . 82.8 p -100.66 -56.0 2.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.113 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.78 HG22 ' O ' ' A' ' 42' ' ' GLU . 13.4 t -65.9 -14.39 61.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.072 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.613 HD11 ' CD1' ' B' ' 209' ' ' PHE . 3.4 mt -130.33 128.07 63.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.122 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -107.01 -26.41 11.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.851 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -114.74 80.98 6.83 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.613 0.721 . . . . 0.0 110.844 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 149.92 67.08 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.721 2.281 . . . . 0.0 112.243 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 6.3 mtp -98.3 152.16 19.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -54.59 -28.91 49.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.952 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -71.07 -42.23 69.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.825 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -69.38 -45.77 68.51 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.895 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 54.9 mt -64.35 -32.59 58.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.209 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 8.2 mt -63.03 -39.39 94.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.872 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 8.0 mm-40 -54.11 -30.98 50.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.891 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 15.0 t -71.85 -34.5 51.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.165 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.57 HG22 ' HA ' ' A' ' 100' ' ' ILE . 92.4 t -65.44 -52.06 56.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.085 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 17.6 mmm180 -59.51 -25.67 64.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.827 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.426 ' OH ' HG21 ' A' ' 36' ' ' VAL . 59.2 t80 -75.08 -52.65 10.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.935 -179.849 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 34.6 m -66.89 -45.84 76.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.859 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.713 HG22 HG11 ' A' ' 107' ' ' VAL . 36.0 p -53.81 -28.2 33.93 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.09 -179.809 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 39.4 m-20 -73.85 -38.18 64.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.897 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.826 HD23 ' HB2' ' A' ' 74' ' ' LEU . 0.9 OUTLIER -53.86 -30.56 46.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.965 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.612 HD13 HG13 ' A' ' 107' ' ' VAL . 5.9 mt -67.83 -47.03 81.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.201 179.798 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 37.0 mm-40 -73.12 -28.25 62.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 60.2 mm-40 -88.76 -11.22 45.63 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.895 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 48.4 mmtt 64.81 42.87 4.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.917 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -113.64 36.61 3.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.806 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.426 HD11 ' CE2' ' A' ' 112' ' ' TYR . 22.2 mt -57.24 -18.51 16.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.882 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 48.5 tt0 -49.91 -54.46 19.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.8 ' HE2' HD11 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -78.89 -22.19 46.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.862 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.826 ' HB2' HD23 ' A' ' 65' ' ' LEU . 36.7 tp -54.68 -58.01 9.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.941 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -57.21 -27.67 62.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.666 HD12 ' HA ' ' A' ' 73' ' ' LYS . 47.0 mt -76.6 -43.86 36.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.854 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.523 HG12 ' CE ' ' A' ' 81' ' ' MET . 90.9 t -70.36 -40.18 77.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.156 179.825 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.76 HG21 HD22 ' A' ' 116' ' ' LEU . 32.8 mm -63.67 -55.16 24.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.141 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.444 ' HA ' ' HG2' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -63.23 -25.57 68.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.944 179.775 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.669 ' CE1' HD11 ' A' ' 84' ' ' LEU . 38.4 t80 -79.05 -43.53 24.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.89 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' MET . . . . . 0.534 ' CE ' HD13 ' A' ' 78' ' ' ILE . 14.2 ptp -74.94 -31.93 61.62 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.922 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.444 ' HG2' ' HA ' ' A' ' 79' ' ' LYS . 0.0 OUTLIER -70.66 -31.82 68.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.917 179.886 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 10.1 ptt85 -71.97 -29.57 64.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.863 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.711 HD13 ' HA ' ' A' ' 41' ' ' LYS . 17.6 mt -82.35 -55.3 4.59 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.943 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 37.2 mtt -55.23 -26.53 40.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.864 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 59.4 mt-30 -80.21 -51.12 9.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.962 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -71.04 -10.04 59.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.923 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -55.66 177.05 0.05 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 -179.81 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 3.1 p -96.97 -32.73 4.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.161 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.702 ' HB3' HG12 ' A' ' 92' ' ' VAL . 77.7 mm-40 -85.5 125.73 33.28 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.916 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 5.4 p -66.82 -27.54 67.64 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.702 HG12 ' HB3' ' A' ' 90' ' ' GLU . 6.9 p -54.93 -27.41 18.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.169 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 11.1 m95 -63.29 -34.15 77.05 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.973 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 11.6 m-80 -57.82 -42.24 83.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.912 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 23.9 mtm -72.59 -38.09 67.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -53.15 -43.29 66.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.075 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.825 ' CZ ' HD11 ' A' ' 101' ' ' LEU . 24.4 t80 -61.28 -41.98 97.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.819 -179.867 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -67.82 -33.61 75.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.847 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 31.6 t80 -59.13 -45.27 91.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.855 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.57 ' HA ' HG22 ' A' ' 59' ' ' VAL . 6.0 mt -67.5 -42.41 86.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.188 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.825 HD11 ' CZ ' ' A' ' 97' ' ' PHE . 7.0 mt -66.2 -35.0 79.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.955 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -60.24 -27.77 67.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.877 179.805 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 13.7 m-80 -98.33 -37.8 9.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.444 HG23 ' O ' ' A' ' 100' ' ' ILE . 84.1 t -74.57 -59.83 2.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.099 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.816 ' HA ' HD23 ' A' ' 108' ' ' LEU . 8.3 mm-40 -49.0 -28.88 4.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.905 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 3.9 t -70.9 -57.14 8.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.124 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.713 HG11 HG22 ' A' ' 63' ' ' THR . 5.9 p -63.95 -25.15 37.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.136 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.829 HD21 ' HA ' ' A' ' 115' ' ' THR . 0.1 OUTLIER -74.09 -39.24 63.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 179.931 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 109' ' ' GLN . . . . . 0.404 ' N ' ' HG ' ' A' ' 108' ' ' LEU . 17.5 mt-30 -66.23 -41.09 90.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.951 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 -64.09 -14.95 58.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.87 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 53.2 m -95.77 -60.95 1.54 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.142 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 112' ' ' TYR . . . . . 0.426 ' CE2' HD11 ' A' ' 71' ' ' LEU . 11.1 m-85 -101.33 -43.18 6.03 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.952 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 104.98 42.42 1.8 Allowed Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.502 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 3.0 m -153.04 178.31 9.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.0 0.429 . . . . 0.0 110.855 -179.779 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 115' ' ' THR . . . . . 0.829 ' HA ' HD21 ' A' ' 108' ' ' LEU . 58.7 p -151.74 145.01 24.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.193 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.76 HD22 HG21 ' A' ' 78' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.886 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 208' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.898 0.38 . . . . 0.0 110.835 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 209' ' ' PHE . . . . . 0.613 ' CD1' HD11 ' A' ' 47' ' ' ILE . 82.7 t80 -67.69 -43.17 80.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.846 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 210' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 -60.37 -24.38 65.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 211' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -76.83 -44.26 33.08 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.808 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 212' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -77.29 -19.16 56.84 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.918 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 213' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -84.89 -44.0 13.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.935 179.855 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 214' ' ' ARG . . . . . . . . . . . . . 7.6 ptm180 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.858 179.984 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo . . . . . 0 C--O 1.23 0.103 0 CA-C-O 120.789 0.245 . . . . 0.0 112.388 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.505 ' CG ' HG22 ' A' ' 31' ' ' VAL . 3.3 m-20 -123.83 145.82 48.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.857 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.514 HD21 HD21 ' A' ' 40' ' ' LEU . 12.8 tp -102.56 113.76 27.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.916 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.407 ' HB1' ' HB3' ' B' ' 214' ' ' ARG . . . 55.58 27.26 10.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.097 179.813 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 95.04 12.99 54.5 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.516 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.466 ' HB2' HD11 ' A' ' 39' ' ' LEU . . . -104.6 117.83 35.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.778 0.323 . . . . 0.0 111.058 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.505 HG22 ' CG ' ' A' ' 26' ' ' ASN . 31.6 t -94.58 -40.57 11.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.136 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.553 ' O ' HG23 ' A' ' 36' ' ' VAL . 37.7 mt-10 -69.81 136.3 50.64 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.886 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 48.4 t80 -55.19 -49.78 71.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.849 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -51.74 -37.8 52.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.871 -179.825 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -74.16 -29.57 61.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.861 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.553 HG23 ' O ' ' A' ' 32' ' ' GLU . 93.0 t -71.57 -57.25 7.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.186 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.555 ' HA ' HD12 ' A' ' 40' ' ' LEU . 6.5 pttt -56.48 -31.87 64.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.936 179.833 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 53.8 m -67.74 -38.75 83.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.149 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.466 HD11 ' HB2' ' A' ' 30' ' ' ALA . 10.8 mt -69.72 -36.06 75.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.904 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.555 HD12 ' HA ' ' A' ' 37' ' ' LYS . 10.2 mt -72.05 -45.97 58.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.938 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.717 ' HA ' HD13 ' A' ' 84' ' ' LEU . 11.1 ttpt -52.94 -42.88 65.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.907 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.772 ' O ' HG22 ' A' ' 46' ' ' THR . 13.1 pt-20 -77.21 -41.97 39.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.915 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.506 ' HD1' HD13 ' A' ' 47' ' ' ILE . 35.8 t90 -63.14 -15.41 56.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.928 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.449 HG22 ' O ' ' A' ' 44' ' ' ILE . 40.0 mt -101.93 -13.69 8.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.125 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.587 HG23 ' O ' ' A' ' 41' ' ' LYS . 71.4 p -103.65 -56.14 2.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.08 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.772 HG22 ' O ' ' A' ' 42' ' ' GLU . 13.1 t -64.92 -15.98 62.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.181 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.665 HD11 ' CD1' ' B' ' 209' ' ' PHE . 3.2 mt -127.35 130.36 70.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.078 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 58.6 m -107.39 -28.92 9.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.872 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -111.24 81.42 2.88 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.609 0.719 . . . . 0.0 110.898 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.85 138.49 37.65 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.663 2.242 . . . . 0.0 112.329 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 49.9 mtm -85.92 157.43 20.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -58.21 -40.24 81.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.898 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 39.6 tp10 -65.27 -46.76 79.18 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -57.39 -50.48 72.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.908 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 60.4 mt -64.43 -31.42 53.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.163 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.5 mt -63.19 -39.34 94.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.919 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 15.2 mm-40 -53.87 -32.28 52.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 16.1 t -71.0 -34.51 55.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.08 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.635 HG22 ' HA ' ' A' ' 100' ' ' ILE . 82.0 t -62.19 -51.68 69.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.159 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 12.8 mmm180 -58.85 -25.6 63.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.854 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 69.2 t80 -74.71 -52.69 10.91 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.916 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 67.5 m -67.75 -46.12 72.99 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.828 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.565 HG22 ' HA ' ' A' ' 104' ' ' VAL . 74.5 p -55.09 -26.61 39.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.12 -179.851 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 40.6 m-20 -73.55 -38.42 65.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.886 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.636 HD23 ' HB2' ' A' ' 74' ' ' LEU . 1.8 mp -54.47 -31.84 56.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.946 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.689 HD13 HG13 ' A' ' 107' ' ' VAL . 3.7 mt -65.41 -46.46 90.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.176 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 52.4 mm-40 -73.92 -34.04 64.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.846 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 39.2 mm-40 -82.36 -10.23 59.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 51.4 mmtt 65.08 40.08 5.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 22.8 m-20 -111.52 36.86 3.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.849 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 25.2 mt -53.81 -23.3 11.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.937 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -50.24 -49.33 53.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.928 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.714 ' HA ' HD12 ' A' ' 76' ' ' LEU . 5.0 mtpt -78.87 -22.7 45.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.864 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.636 ' HB2' HD23 ' A' ' 65' ' ' LEU . 23.9 tp -57.41 -55.6 32.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.956 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.779 ' HA ' HD21 ' A' ' 116' ' ' LEU . 4.9 t0 -59.02 -26.68 64.77 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.881 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.714 HD12 ' HA ' ' A' ' 73' ' ' LYS . 45.4 mt -76.93 -49.19 16.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.939 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.613 HG12 ' CE ' ' A' ' 81' ' ' MET . 88.6 t -68.27 -38.3 79.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.157 179.813 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.798 HG21 HD22 ' A' ' 116' ' ' LEU . 29.5 mm -67.07 -53.37 34.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.118 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.464 ' HA ' ' HG2' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -64.3 -25.16 67.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.942 179.826 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.685 ' CE1' HD11 ' A' ' 84' ' ' LEU . 38.7 t80 -81.03 -43.48 19.51 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.908 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' MET . . . . . 0.613 ' CE ' HG12 ' A' ' 77' ' ' VAL . 14.5 ptp -74.37 -32.5 62.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.95 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.464 ' HG2' ' HA ' ' A' ' 79' ' ' LYS . 0.0 OUTLIER -70.68 -32.34 69.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.87 179.923 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 2.4 ptm180 -71.14 -28.72 64.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.805 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.717 HD13 ' HA ' ' A' ' 41' ' ' LYS . 17.0 mt -82.6 -53.3 6.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.923 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 25.3 mtt -57.46 -29.22 64.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -78.25 -50.56 11.64 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.899 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -70.51 -10.61 59.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.916 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 5.1 m -55.08 176.98 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.886 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.475 HG13 ' CD ' ' A' ' 90' ' ' GLU . 2.7 p -99.64 -31.62 3.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.128 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.48 ' HB3' HG12 ' A' ' 92' ' ' VAL . 35.4 mp0 -83.47 132.35 34.96 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.909 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.2 m -71.51 -25.65 62.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.85 -179.781 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.48 HG12 ' HB3' ' A' ' 90' ' ' GLU . 9.5 p -61.11 -25.06 35.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.079 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 8.7 m95 -66.48 -34.14 77.25 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.002 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -58.13 -41.38 83.52 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.935 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 22.7 mtm -72.83 -34.07 66.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.855 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -53.49 -46.06 69.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.095 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.8 ' CZ ' HD11 ' A' ' 101' ' ' LEU . 25.4 t80 -61.29 -38.86 88.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.864 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -68.81 -34.1 74.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.888 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 38.2 t80 -58.89 -48.58 80.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.896 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.635 ' HA ' HG22 ' A' ' 59' ' ' VAL . 5.2 mt -63.77 -41.48 92.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.115 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.8 HD11 ' CZ ' ' A' ' 97' ' ' PHE . 22.6 mt -67.64 -33.05 74.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.972 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -60.96 -29.64 69.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.84 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 17.1 m-80 -98.31 -34.85 10.52 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.923 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.565 ' HA ' HG22 ' A' ' 63' ' ' THR . 81.2 t -76.2 -60.78 2.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.095 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.826 ' HA ' HD23 ' A' ' 108' ' ' LEU . 16.0 mm-40 -49.36 -29.24 5.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.896 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 3.0 t -69.29 -55.6 14.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.145 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.689 HG13 HD13 ' A' ' 66' ' ' ILE . 7.0 p -66.52 -25.14 34.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.07 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.884 HD21 ' HA ' ' A' ' 115' ' ' THR . 0.1 OUTLIER -74.39 -39.29 62.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.932 179.939 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 109' ' ' GLN . . . . . 0.406 ' N ' ' HG ' ' A' ' 108' ' ' LEU . 21.4 mt-30 -66.55 -40.85 89.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.958 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 44.3 mt-30 -64.41 -14.83 58.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 68.5 m -95.53 -59.66 1.83 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.22 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -104.47 -42.59 5.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.933 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 110.97 -14.39 28.9 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.468 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 114' ' ' SER . . . . . 0.592 ' O ' HD11 ' A' ' 108' ' ' LEU . 23.1 m -94.32 -172.65 2.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.902 0.382 . . . . 0.0 110.9 -179.731 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 115' ' ' THR . . . . . 0.884 ' HA ' HD21 ' A' ' 108' ' ' LEU . 69.9 p -152.58 -177.91 6.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.112 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.798 HD22 HG21 ' A' ' 78' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.966 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 208' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.938 0.399 . . . . 0.0 110.819 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 209' ' ' PHE . . . . . 0.665 ' CD1' HD11 ' A' ' 47' ' ' ILE . 83.7 t80 -55.99 -47.32 77.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.874 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 210' ' ' PHE . . . . . . . . . . . . . 38.2 m-85 -61.63 -28.42 69.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.858 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 211' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -72.83 -43.17 62.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.89 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 212' ' ' LYS . . . . . . . . . . . . . 8.1 ptpp? -77.48 -21.52 52.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.83 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 213' ' ' LYS . . . . . . . . . . . . . 5.2 tppt? -87.34 -49.71 7.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.876 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 214' ' ' ARG . . . . . 0.407 ' HB3' ' HB1' ' A' ' 28' ' ' ALA . 8.1 ptm180 . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 N--CA 1.466 -0.135 0 CA-C-O 120.812 0.255 . . . . 0.0 112.341 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.536 ' CG ' HG22 ' A' ' 31' ' ' VAL . 2.9 m-20 -120.58 135.74 55.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.896 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.43 HD13 ' HB2' ' A' ' 61' ' ' TYR . 13.6 tp -103.52 117.36 34.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.928 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.796 ' HB3' HD13 ' A' ' 39' ' ' LEU . . . 53.84 35.81 22.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.102 179.803 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 82.14 12.9 80.18 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.517 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.46 ' HB1' ' HB3' ' A' ' 35' ' ' ASP . . . -108.44 113.61 26.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.801 0.334 . . . . 0.0 111.062 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.536 HG22 ' CG ' ' A' ' 26' ' ' ASN . 20.3 t -92.34 -40.44 12.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.199 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.469 ' O ' HG23 ' A' ' 36' ' ' VAL . 5.4 mm-40 -70.02 134.7 48.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.893 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 29.7 t80 -52.43 -53.07 50.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.882 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 74.9 p -50.31 -32.5 17.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.46 ' HB3' ' HB1' ' A' ' 30' ' ' ALA . 2.6 t0 -80.27 -35.39 36.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.833 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.469 HG23 ' O ' ' A' ' 32' ' ' GLU . 88.5 t -64.81 -57.36 11.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.111 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.711 ' HA ' HD12 ' A' ' 40' ' ' LEU . 7.5 pttt -53.28 -30.41 38.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.913 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 88.2 m -62.66 -39.6 94.44 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.134 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.796 HD13 ' HB3' ' A' ' 28' ' ' ALA . 12.7 mt -68.45 -38.77 81.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.907 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.711 HD12 ' HA ' ' A' ' 37' ' ' LYS . 8.6 mt -68.15 -46.47 70.7 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.923 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.679 ' HA ' HD13 ' A' ' 84' ' ' LEU . 15.5 ttpt -53.16 -45.14 68.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.893 179.855 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.794 ' O ' HG22 ' A' ' 46' ' ' THR . 15.4 pt-20 -77.31 -39.78 46.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.953 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.503 ' HD1' HD13 ' A' ' 47' ' ' ILE . 35.1 t90 -63.92 -14.13 51.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.893 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.459 HG22 ' O ' ' A' ' 44' ' ' ILE . 34.5 mt -104.14 -13.34 8.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.086 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.618 HG23 ' O ' ' A' ' 41' ' ' LYS . 80.5 p -103.04 -55.45 2.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.121 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.794 HG22 ' O ' ' A' ' 42' ' ' GLU . 12.7 t -69.79 -19.03 63.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.196 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.503 HD13 ' HD1' ' A' ' 43' ' ' TRP . 3.5 mt -127.11 125.93 67.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.149 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.2 p -107.19 -24.24 11.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.82 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -118.91 82.0 20.32 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.568 0.699 . . . . 0.0 110.853 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.86 154.24 67.55 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.634 2.223 . . . . 0.0 112.298 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 15.8 ttp -92.45 155.05 18.11 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.897 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -51.53 -39.68 58.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.912 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 29.5 mm-40 -68.69 -44.36 74.14 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.93 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -55.54 -51.24 67.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.879 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 56.5 mt -63.13 -30.93 50.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.09 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 5.2 mt -67.23 -37.22 83.22 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.908 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 43.2 mm-40 -54.04 -33.68 57.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 10.7 t -70.43 -34.6 58.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.153 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.486 HG22 ' HA ' ' A' ' 100' ' ' ILE . 93.1 t -63.76 -47.87 89.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.103 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -62.01 -30.33 70.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.866 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.463 ' OH ' HG21 ' A' ' 36' ' ' VAL . 67.3 t80 -72.28 -50.34 27.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.913 -179.828 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 46.4 m -67.56 -46.75 71.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.895 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.775 HG22 HG11 ' A' ' 107' ' ' VAL . 36.4 p -54.44 -28.36 43.66 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.119 -179.837 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 48.5 m-20 -73.71 -37.62 65.1 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.815 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.836 HD23 ' HB2' ' A' ' 74' ' ' LEU . 1.0 OUTLIER -54.15 -30.91 50.93 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 -179.96 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.615 HD13 HG13 ' A' ' 107' ' ' VAL . 5.3 mt -67.14 -49.41 73.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.117 179.845 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -73.21 -26.73 61.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.869 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -88.45 -10.88 47.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.4 mmmt 64.02 43.38 5.21 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.884 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 58.4 m-20 -115.12 35.61 4.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.826 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 22.3 mt -57.37 -18.2 16.35 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.874 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -49.96 -54.58 18.95 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.665 ' HA ' HD12 ' A' ' 76' ' ' LEU . 0.0 OUTLIER -78.79 -22.74 45.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.905 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.836 ' HB2' HD23 ' A' ' 65' ' ' LEU . 37.5 tp -54.09 -58.37 7.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.887 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -57.84 -26.84 62.59 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.838 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.665 HD12 ' HA ' ' A' ' 73' ' ' LYS . 61.4 mt -76.48 -42.8 42.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.482 HG13 ' CD1' ' A' ' 40' ' ' LEU . 93.7 t -70.74 -43.15 77.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.131 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.841 HG21 HD22 ' A' ' 116' ' ' LEU . 30.9 mm -56.4 -57.66 8.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.119 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.97 -36.28 82.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.955 179.828 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.575 ' CE1' HD11 ' A' ' 84' ' ' LEU . 56.2 t80 -62.59 -50.91 69.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.904 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' MET . . . . . 0.476 ' HE1' HD13 ' A' ' 78' ' ' ILE . 8.9 ptp -67.69 -26.67 66.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.924 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.6 -58.58 6.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 3.6 ptm180 -52.12 -28.35 17.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.907 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.679 HD13 ' HA ' ' A' ' 41' ' ' LYS . 46.3 mt -81.55 -54.49 5.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 22.1 mtt -58.62 -30.08 66.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.879 179.792 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 21.0 mm-40 -78.94 -53.92 6.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.949 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -66.02 -15.51 63.09 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.93 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -53.46 172.68 0.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 -179.758 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 3.2 p -96.36 -32.82 4.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.191 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.767 ' HB3' HG12 ' A' ' 92' ' ' VAL . 16.3 mm-40 -85.89 112.84 21.53 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.85 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.1 t -57.51 -25.33 59.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.795 -179.767 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.767 HG12 ' HB3' ' A' ' 90' ' ' GLU . 9.3 p -54.24 -27.07 16.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.155 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 13.1 m95 -64.37 -37.74 88.57 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.932 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 6.3 m-80 -55.74 -39.2 70.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.881 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 21.9 mtm -72.48 -38.85 68.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -53.33 -43.47 67.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.013 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.653 ' CZ ' HD11 ' A' ' 101' ' ' LEU . 38.1 t80 -56.63 -49.56 74.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.945 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -63.19 -36.21 82.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.849 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 24.1 t80 -59.95 -46.13 90.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.865 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.486 ' HA ' HG22 ' A' ' 59' ' ' VAL . 19.0 mt -67.45 -38.37 80.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.143 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.653 HD11 ' CZ ' ' A' ' 97' ' ' PHE . 21.8 mt -69.87 -34.31 73.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.961 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -59.86 -26.79 66.13 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 179.8 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 39.1 m-80 -97.68 -40.6 8.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.88 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.42 HG23 ' O ' ' A' ' 100' ' ' ILE . 77.8 t -71.61 -58.88 4.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.115 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.817 ' HA ' HD23 ' A' ' 108' ' ' LEU . 13.8 mm-40 -49.0 -29.39 4.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.944 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 6.1 t -71.23 -56.45 10.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.171 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.775 HG11 HG22 ' A' ' 63' ' ' THR . 5.8 p -64.79 -25.78 38.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.167 179.818 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.856 HD21 ' HA ' ' A' ' 115' ' ' THR . 0.1 OUTLIER -74.41 -38.61 63.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.929 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -67.27 -40.89 86.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.93 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 51.2 mt-30 -63.92 -14.97 57.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.929 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 57.1 m -95.93 -60.92 1.54 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.072 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' TYR . . . . . 0.431 ' CE2' HG23 ' A' ' 66' ' ' ILE . 10.2 m-85 -101.89 -42.74 6.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.917 -179.888 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 111.59 -14.53 27.3 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.56 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 114' ' ' SER . . . . . 0.571 ' O ' HD11 ' A' ' 108' ' ' LEU . 1.1 t -94.0 -176.09 3.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.938 0.399 . . . . 0.0 110.867 -179.752 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 115' ' ' THR . . . . . 0.856 ' HA ' HD21 ' A' ' 108' ' ' LEU . 71.8 p -152.34 -177.85 6.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.169 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.841 HD22 HG21 ' A' ' 78' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 208' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.933 0.397 . . . . 0.0 110.853 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 209' ' ' PHE . . . . . 0.408 ' CD1' HD11 ' A' ' 47' ' ' ILE . 41.0 t80 -51.95 -45.48 64.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.856 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 210' ' ' PHE . . . . . . . . . . . . . 64.7 m-85 -59.75 -27.36 66.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.847 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 211' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -73.18 -44.37 59.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.899 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 212' ' ' LYS . . . . . . . . . . . . . 5.4 pttt -78.0 -18.24 56.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.866 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 213' ' ' LYS . . . . . 0.688 ' CE ' HD22 ' A' ' 39' ' ' LEU . 0.0 OUTLIER -90.64 -41.49 11.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.858 179.911 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 214' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.855 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--O 1.23 0.081 0 CA-C-O 120.802 0.251 . . . . 0.0 112.339 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -124.77 142.16 51.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.9 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.422 HD21 HD21 ' A' ' 40' ' ' LEU . 1.6 tp -102.18 113.39 26.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.915 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 55.87 26.73 10.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.148 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 95.03 13.04 54.37 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.54 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.544 ' HB2' HD11 ' A' ' 39' ' ' LEU . . . -104.92 118.58 36.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.823 0.344 . . . . 0.0 111.12 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 21.7 t -94.17 -44.27 13.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.077 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.655 ' O ' HG23 ' A' ' 36' ' ' VAL . 16.4 mm-40 -66.47 139.88 57.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.893 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 44.4 t80 -57.72 -50.35 73.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.913 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -51.84 -37.53 52.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.792 -179.822 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -74.24 -29.43 61.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.911 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.655 HG23 ' O ' ' A' ' 32' ' ' GLU . 94.3 t -71.68 -56.84 8.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.108 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.516 ' HA ' HD12 ' A' ' 40' ' ' LEU . 6.2 pttt -56.95 -31.49 65.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 54.8 m -67.09 -40.29 86.94 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.175 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.544 HD11 ' HB2' ' A' ' 30' ' ' ALA . 14.5 mt -69.38 -34.62 74.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.516 HD12 ' HA ' ' A' ' 37' ' ' LYS . 15.0 mt -72.19 -47.31 51.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.986 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.722 ' HA ' HD13 ' A' ' 84' ' ' LEU . 13.1 ttpt -52.66 -42.4 64.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 179.798 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.768 ' O ' HG22 ' A' ' 46' ' ' THR . 12.4 pt-20 -77.5 -41.94 37.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.879 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.481 ' HD1' HD13 ' A' ' 47' ' ' ILE . 39.1 t90 -63.37 -15.6 57.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.876 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.454 HG22 ' O ' ' A' ' 44' ' ' ILE . 37.6 mt -101.47 -13.24 8.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.155 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.585 HG23 ' O ' ' A' ' 41' ' ' LYS . 74.0 p -104.06 -55.76 2.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.144 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.768 HG22 ' O ' ' A' ' 42' ' ' GLU . 13.4 t -66.01 -16.94 64.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.092 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.542 HD11 ' CD1' ' B' ' 209' ' ' PHE . 3.3 mt -127.97 127.55 68.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.135 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 37.5 m -106.95 -24.46 12.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.836 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -116.03 81.15 9.78 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.562 0.696 . . . . 0.0 110.864 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 147.27 62.7 Favored 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.747 2.298 . . . . 0.0 112.328 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 10.2 ttp -91.93 155.12 18.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.86 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -52.47 -39.7 61.44 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.898 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -66.36 -45.0 81.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.894 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -57.28 -49.1 77.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.888 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 50.1 mt -66.2 -30.79 51.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.078 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' A' ' 56' ' ' LEU . 8.9 mt -63.51 -40.73 97.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.851 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 7.5 mm-40 -54.3 -32.64 56.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.917 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 15.3 t -70.85 -34.88 57.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.076 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.619 HG22 ' HA ' ' A' ' 100' ' ' ILE . 95.4 t -65.39 -51.59 62.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.141 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 16.7 mmt180 -60.89 -25.25 66.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.819 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 67.5 t80 -75.62 -51.86 11.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 -179.769 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 62.2 m -68.62 -45.71 71.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.913 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.56 HG22 ' HA ' ' A' ' 104' ' ' VAL . 52.9 p -56.28 -25.55 48.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.177 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 46.6 m-20 -73.53 -37.64 65.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.862 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.605 HD23 ' HB2' ' A' ' 74' ' ' LEU . 1.6 mp -54.63 -32.98 59.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.892 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.643 HD13 HG13 ' A' ' 107' ' ' VAL . 3.0 mt -64.58 -43.66 96.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.108 179.874 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -74.23 -35.5 63.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.901 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 59.1 mm-40 -83.03 -8.77 59.51 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.926 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 27.0 mmtt 64.91 39.71 5.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.887 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -111.02 36.86 3.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.923 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 24.7 mt -53.82 -23.22 11.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.919 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -50.36 -48.84 55.55 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.871 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.737 ' HA ' HD12 ' A' ' 76' ' ' LEU . 1.9 mtpp -78.75 -22.59 46.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.907 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.605 ' HB2' HD23 ' A' ' 65' ' ' LEU . 24.3 tp -57.86 -57.46 12.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.864 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.549 ' HA ' HD21 ' A' ' 116' ' ' LEU . 2.9 t0 -57.33 -26.88 61.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.831 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.737 HD12 ' HA ' ' A' ' 73' ' ' LYS . 42.8 mt -76.96 -49.57 15.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.886 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.596 HG12 ' CE ' ' A' ' 81' ' ' MET . 91.3 t -67.73 -36.13 74.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.111 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.81 HG21 HD22 ' A' ' 116' ' ' LEU . 30.2 mm -69.15 -53.89 23.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.17 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.462 ' HA ' ' HG2' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -63.83 -25.37 68.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.873 179.809 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.686 ' CE1' HD11 ' A' ' 84' ' ' LEU . 37.2 t80 -80.93 -43.38 19.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.875 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' MET . . . . . 0.596 ' CE ' HG12 ' A' ' 77' ' ' VAL . 14.1 ptp -74.35 -32.35 62.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.866 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.462 ' HG2' ' HA ' ' A' ' 79' ' ' LYS . 0.0 OUTLIER -71.13 -31.93 68.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.91 179.955 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 2.4 ptm180 -71.11 -29.03 64.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.868 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.722 HD13 ' HA ' ' A' ' 41' ' ' LYS . 15.4 mt -82.44 -54.92 4.82 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.925 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 29.4 mtt -55.65 -29.93 60.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.861 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 58.5 mt-30 -77.26 -55.18 5.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.948 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -64.73 -15.49 61.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.917 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 24.6 p -51.91 161.69 0.54 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.851 -179.751 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 2.3 m -83.71 -25.97 7.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.146 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.41 ' HB3' HG22 ' A' ' 92' ' ' VAL . 3.6 mm-40 -94.21 125.31 38.77 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.93 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 36.5 p -67.94 -24.42 65.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.855 -179.762 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.41 HG22 ' HB3' ' A' ' 90' ' ' GLU . 34.2 m -57.47 -22.85 18.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.097 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 7.6 m95 -72.43 -34.4 67.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -57.77 -38.03 74.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.931 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 18.5 mtm -72.63 -38.75 67.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.898 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -53.18 -38.71 63.07 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.109 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.774 ' CZ ' HD11 ' A' ' 101' ' ' LEU . 25.9 t80 -64.56 -45.84 85.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.946 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 24.3 t0 -61.96 -36.53 81.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.942 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 33.1 t80 -56.38 -49.04 75.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.881 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.619 ' HA ' HG22 ' A' ' 59' ' ' VAL . 6.0 mt -62.7 -42.87 97.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.128 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.774 HD11 ' CZ ' ' A' ' 97' ' ' PHE . 35.5 mt -66.53 -31.49 72.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.977 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -60.92 -31.34 70.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.943 179.785 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 8.2 m-80 -98.09 -32.67 11.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.858 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.56 ' HA ' HG22 ' A' ' 63' ' ' THR . 83.8 t -77.11 -61.54 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.171 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.819 ' HA ' HD23 ' A' ' 108' ' ' LEU . 17.6 mm-40 -49.52 -29.94 7.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.886 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 3.8 t -71.22 -52.93 23.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.138 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.643 HG13 HD13 ' A' ' 66' ' ' ILE . 9.4 p -68.38 -26.02 32.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.091 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.869 HD21 ' HA ' ' A' ' 115' ' ' THR . 0.1 OUTLIER -73.65 -38.47 64.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 109' ' ' GLN . . . . . 0.406 ' N ' ' HG ' ' A' ' 108' ' ' LEU . 27.2 mt-30 -66.32 -41.1 90.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.944 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -64.31 -14.87 58.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.949 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 68.8 m -95.61 -59.52 1.85 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.183 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 112' ' ' TYR . . . . . 0.421 ' CE1' HG23 ' A' ' 66' ' ' ILE . 11.7 m-85 -104.08 -42.86 5.42 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.909 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 111.5 -14.52 27.55 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.521 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 114' ' ' SER . . . . . 0.589 ' O ' HD11 ' A' ' 108' ' ' LEU . 74.8 p -94.37 -174.22 3.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.911 0.386 . . . . 0.0 110.84 -179.664 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 115' ' ' THR . . . . . 0.869 ' HA ' HD21 ' A' ' 108' ' ' LEU . 66.5 p -152.7 -178.0 6.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.075 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.81 HD22 HG21 ' A' ' 78' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.951 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 208' ' ' SER . . . . . . . . . . . . . 1.1 t . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.942 0.401 . . . . 0.0 110.85 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 209' ' ' PHE . . . . . 0.542 ' CD1' HD11 ' A' ' 47' ' ' ILE . 76.0 t80 -53.0 -37.7 61.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.85 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 210' ' ' PHE . . . . . . . . . . . . . 31.8 m-85 -67.54 -29.19 68.52 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.827 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 211' ' ' ASP . . . . . . . . . . . . . 29.7 m-20 -75.73 -43.5 46.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.879 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 212' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -77.47 -20.01 55.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.847 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 213' ' ' LYS . . . . . . . . . . . . . 11.5 tptt -86.38 -46.41 10.28 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.869 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 214' ' ' ARG . . . . . . . . . . . . . 26.1 ptt85 . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 -179.987 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--O 1.23 0.125 0 CA-C-O 120.755 0.231 . . . . 0.0 112.363 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.437 ' OD1' HG22 ' A' ' 31' ' ' VAL . 3.1 m-20 -124.51 135.08 52.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.875 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.455 HD21 HD21 ' A' ' 40' ' ' LEU . 19.0 tp -105.39 108.9 20.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.93 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 58.82 28.7 17.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.12 179.79 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 95.13 4.66 61.17 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.472 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.49 ' HB2' HD11 ' A' ' 39' ' ' LEU . . . -100.68 115.91 31.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.794 0.33 . . . . 0.0 111.123 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.437 HG22 ' OD1' ' A' ' 26' ' ' ASN . 21.8 t -93.39 -38.04 9.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.14 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.621 ' O ' HG23 ' A' ' 36' ' ' VAL . 67.7 mt-10 -71.76 141.35 49.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.892 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 35.3 t80 -56.12 -51.45 67.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.897 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 10.9 p -51.61 -37.4 49.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.843 -179.783 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 81.5 m-20 -74.01 -29.58 62.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.797 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.621 HG23 ' O ' ' A' ' 32' ' ' GLU . 97.8 t -72.15 -56.24 10.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.165 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.771 ' HA ' HD12 ' A' ' 40' ' ' LEU . 2.7 ptmt -57.16 -34.16 68.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.879 179.859 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 53.1 m -65.53 -37.7 87.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.169 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.49 HD11 ' HB2' ' A' ' 30' ' ' ALA . 30.8 mt -70.52 -35.66 73.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.924 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.771 HD12 ' HA ' ' A' ' 37' ' ' LYS . 5.4 mt -71.91 -46.96 55.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.656 ' HA ' HD13 ' A' ' 84' ' ' LEU . 6.3 ttpt -52.94 -42.8 65.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.952 179.85 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.787 ' O ' HG22 ' A' ' 46' ' ' THR . 25.2 pt-20 -76.86 -42.31 40.53 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.942 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.503 ' HD1' HD13 ' A' ' 47' ' ' ILE . 34.9 t90 -63.53 -14.85 55.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.919 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.435 HG22 ' O ' ' A' ' 44' ' ' ILE . 41.1 mt -102.24 -14.64 8.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.118 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.585 HG23 ' O ' ' A' ' 41' ' ' LYS . 76.5 p -102.48 -56.24 2.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.132 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.787 HG22 ' O ' ' A' ' 42' ' ' GLU . 12.8 t -65.6 -16.48 63.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.179 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.503 HD13 ' HD1' ' A' ' 43' ' ' TRP . 3.4 mt -128.18 130.31 69.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.102 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 9.0 m -106.61 -24.5 12.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.836 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -115.53 80.43 8.03 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.578 0.704 . . . . 0.0 110.899 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 139.93 41.45 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.678 2.252 . . . . 0.0 112.287 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 65.6 mtm -85.55 159.8 19.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.856 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -57.39 -59.92 4.42 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.902 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -51.84 -46.24 64.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.885 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -55.07 -38.81 68.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.855 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.596 ' O ' HG22 ' A' ' 58' ' ' VAL . 20.1 mt -72.79 -49.93 36.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.147 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.409 HD13 ' HA ' ' A' ' 56' ' ' LEU . 4.3 mm? -49.79 -28.29 6.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.94 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 22.1 mt-30 -55.91 -36.92 68.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.866 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.596 HG22 ' O ' ' A' ' 55' ' ' ILE . 2.1 m -73.27 -31.0 32.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.114 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.622 HG22 HG23 ' A' ' 100' ' ' ILE . 87.2 t -59.1 -52.1 64.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.172 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 23.2 mmm180 -58.34 -29.15 65.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.901 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.573 ' CE2' HG11 ' A' ' 36' ' ' VAL . 56.5 t80 -71.55 -54.82 9.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 -179.874 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 44.1 m -65.0 -47.3 78.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.882 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.605 HG22 ' HA ' ' A' ' 104' ' ' VAL . 49.4 p -57.23 -26.41 60.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.157 -179.874 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -73.34 -37.82 65.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.832 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.402 HD23 ' HB2' ' A' ' 74' ' ' LEU . 1.8 mp -54.34 -34.59 61.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.964 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.636 HD13 HG13 ' A' ' 107' ' ' VAL . 3.1 mt -62.53 -44.34 99.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.154 179.864 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 38.4 mm-40 -73.99 -35.11 64.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.93 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 60.3 mm-40 -82.87 -7.34 59.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.868 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 4.0 mmmm 63.95 38.5 8.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.909 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -111.29 37.19 2.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.873 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.541 HD11 ' CZ ' ' A' ' 112' ' ' TYR . 22.1 mt -53.96 -23.39 12.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.933 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -50.34 -46.18 55.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.936 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.771 ' HA ' HD12 ' A' ' 76' ' ' LEU . 14.0 mtpt -79.0 -22.86 44.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.921 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.402 ' HB2' HD23 ' A' ' 65' ' ' LEU . 23.4 tp -57.36 -61.91 2.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.411 ' HA ' HD21 ' A' ' 116' ' ' LEU . 0.7 OUTLIER -54.21 -26.76 30.19 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.874 179.794 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.771 HD12 ' HA ' ' A' ' 73' ' ' LYS . 53.7 mt -76.66 -45.95 27.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.983 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.475 HG23 ' O ' ' A' ' 73' ' ' LYS . 86.5 t -69.8 -38.98 77.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.071 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.711 HG21 HD22 ' A' ' 116' ' ' LEU . 34.8 mm -63.92 -57.47 11.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.187 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.68 -32.26 71.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.882 179.805 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.661 ' CE1' HD11 ' A' ' 84' ' ' LEU . 57.5 t80 -68.43 -53.46 23.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.949 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' MET . . . . . 0.602 ' HA ' HD12 ' A' ' 84' ' ' LEU . 11.4 ptp -65.77 -27.38 68.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 179.847 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.76 -57.61 11.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.88 -27.18 28.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.856 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.661 HD11 ' CE1' ' A' ' 80' ' ' TYR . 26.7 mt -80.99 -54.72 5.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.982 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 27.7 mtt -60.83 -29.13 69.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.842 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 21.3 mm-40 -78.22 -50.67 11.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.871 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -67.47 -15.12 63.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.904 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 37.3 p -51.94 152.65 2.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.826 -179.755 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 2.6 m -76.71 -26.02 16.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.123 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 32.3 mm-40 -98.94 131.68 44.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 2.2 t -71.77 -18.92 62.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.875 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 13.7 p -56.4 -24.4 18.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.133 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 46.8 m95 -71.94 -34.28 68.91 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.901 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -59.62 -37.09 77.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.858 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 15.1 mtm -72.33 -39.84 67.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.861 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -53.84 -44.29 70.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.076 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.648 ' CZ ' HD11 ' A' ' 101' ' ' LEU . 45.2 t80 -55.25 -55.06 35.69 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 19.5 t0 -57.3 -41.33 79.64 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.856 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 52.3 t80 -54.61 -47.97 72.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.895 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.622 HG23 HG22 ' A' ' 59' ' ' VAL . 11.2 mt -62.81 -46.13 97.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.158 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.648 HD11 ' CZ ' ' A' ' 97' ' ' PHE . 34.8 mt -62.22 -27.57 69.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.879 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.28 -30.39 71.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.851 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -97.41 -33.03 11.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.852 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.605 ' HA ' HG22 ' A' ' 63' ' ' THR . 79.1 t -77.03 -60.55 2.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.154 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.833 ' HA ' HD23 ' A' ' 108' ' ' LEU . 17.0 mm-40 -49.55 -29.9 7.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.907 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 4.6 t -71.01 -54.43 17.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.182 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.636 HG13 HD13 ' A' ' 66' ' ' ILE . 7.4 p -66.91 -25.91 35.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.173 179.875 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.845 HD21 ' HA ' ' A' ' 115' ' ' THR . 0.1 OUTLIER -73.9 -39.07 64.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.968 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 109' ' ' GLN . . . . . 0.406 ' N ' ' HG ' ' A' ' 108' ' ' LEU . 16.5 mt-30 -66.09 -41.31 90.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.909 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -63.9 -15.11 58.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.93 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 59.8 m -95.53 -60.67 1.61 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.165 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 112' ' ' TYR . . . . . 0.541 ' CZ ' HD11 ' A' ' 71' ' ' LEU . 8.8 m-85 -102.35 -42.86 5.86 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 111.59 -14.61 27.29 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.528 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 114' ' ' SER . . . . . 0.589 ' O ' HD11 ' A' ' 108' ' ' LEU . 49.3 m -94.79 -173.73 3.08 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.883 0.373 . . . . 0.0 110.879 -179.704 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 115' ' ' THR . . . . . 0.845 ' HA ' HD21 ' A' ' 108' ' ' LEU . 67.3 p -152.6 176.55 11.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.127 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.711 HD22 HG21 ' A' ' 78' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.901 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 208' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.911 0.386 . . . . 0.0 110.787 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 209' ' ' PHE . . . . . 0.436 ' CD1' HD11 ' A' ' 47' ' ' ILE . 74.8 t80 -54.99 -45.04 75.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.873 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 210' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -63.24 -28.61 70.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.857 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 211' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -71.64 -46.95 57.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.851 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 212' ' ' LYS . . . . . . . . . . . . . 10.4 ptmm? -71.58 -23.77 61.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.929 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 213' ' ' LYS . . . . . . . . . . . . . 4.9 tppt? -82.47 -45.21 15.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.918 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 214' ' ' ARG . . . . . . . . . . . . . 4.7 ptm180 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.826 179.975 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 N--CA 1.465 -0.151 0 CA-C-O 120.766 0.236 . . . . 0.0 112.378 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -125.17 143.44 50.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.893 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.544 HD21 HD21 ' A' ' 40' ' ' LEU . 12.7 tp -104.33 111.95 24.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.925 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 54.76 28.52 10.34 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.061 179.754 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 95.12 12.99 54.22 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.758 -0.735 . . . . 0.0 112.563 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.59 ' HB2' HD11 ' A' ' 39' ' ' LEU . . . -105.86 115.76 30.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.843 0.354 . . . . 0.0 111.05 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 30.2 t -91.88 -45.71 14.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.145 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.736 ' O ' HG23 ' A' ' 36' ' ' VAL . 5.4 mm-40 -68.44 146.03 53.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.936 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 37.3 t80 -59.5 -50.56 73.45 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.86 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 4.9 m -51.69 -37.81 52.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.836 -179.77 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 30.4 m-20 -72.64 -29.71 63.68 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.877 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.736 HG23 ' O ' ' A' ' 32' ' ' GLU . 46.7 t -71.97 -57.1 8.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.16 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.573 ' HA ' HD12 ' A' ' 40' ' ' LEU . 4.0 ptmt -56.16 -33.69 65.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.939 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 54.1 m -63.84 -40.94 97.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.152 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.59 HD11 ' HB2' ' A' ' 30' ' ' ALA . 14.3 mt -70.45 -34.0 71.95 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.956 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.573 HD12 ' HA ' ' A' ' 37' ' ' LYS . 15.4 mt -72.18 -46.84 54.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.896 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.715 ' HA ' HD13 ' A' ' 84' ' ' LEU . 8.6 ttpt -52.68 -42.69 64.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.971 179.751 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.779 ' O ' HG22 ' A' ' 46' ' ' THR . 12.3 pt-20 -77.39 -41.63 39.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.884 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.494 ' HD1' HD13 ' A' ' 47' ' ' ILE . 36.9 t90 -63.45 -15.37 57.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.934 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.445 HG22 ' O ' ' A' ' 44' ' ' ILE . 35.9 mt -101.87 -13.97 8.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.183 179.847 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.591 HG23 ' O ' ' A' ' 41' ' ' LYS . 70.3 p -103.15 -56.1 2.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.185 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.779 HG22 ' O ' ' A' ' 42' ' ' GLU . 13.2 t -65.1 -16.17 63.19 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.122 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.602 HD11 ' CD1' ' B' ' 209' ' ' PHE . 3.2 mt -127.42 130.69 70.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.093 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -107.2 -29.86 9.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.866 -179.881 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -112.69 81.36 4.26 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.617 0.722 . . . . 0.0 110.889 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 134.88 28.99 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.74 2.293 . . . . 0.0 112.335 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 20.0 mtp -82.07 150.64 27.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.844 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -52.35 -34.7 48.67 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -66.59 -50.06 64.3 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.874 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -58.01 -46.62 84.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.88 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 57.5 mt -63.87 -31.98 55.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.08 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.0 mt -63.08 -38.56 91.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.907 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 5.3 mm100 -54.02 -31.61 51.72 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.949 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 12.9 t -71.88 -35.26 54.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.121 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.55 HG22 ' HA ' ' A' ' 100' ' ' ILE . 88.2 t -65.58 -52.55 49.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.165 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 21.2 mmt85 -59.08 -25.63 63.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.904 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.466 ' OH ' HG21 ' A' ' 36' ' ' VAL . 75.0 t80 -75.45 -52.15 11.37 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.909 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 63.6 m -67.06 -45.99 75.69 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.824 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.738 HG22 HG11 ' A' ' 107' ' ' VAL . 35.3 p -53.3 -28.25 27.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.158 -179.827 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 35.4 m-20 -73.85 -38.24 64.54 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.884 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.804 HD23 ' HB2' ' A' ' 74' ' ' LEU . 1.0 OUTLIER -54.21 -31.82 54.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 -179.933 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.609 HD13 HG13 ' A' ' 107' ' ' VAL . 5.8 mt -66.32 -47.85 82.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.128 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -73.2 -29.27 62.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.893 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 37.7 mm-40 -86.88 -10.47 53.31 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.856 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 5.8 mmtm 64.31 42.7 5.15 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.852 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -114.57 36.41 3.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.919 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.475 HD11 ' CE2' ' A' ' 112' ' ' TYR . 22.5 mt -57.15 -18.41 15.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.925 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 47.1 tt0 -49.9 -54.32 20.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.915 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.792 ' HE2' HD11 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -78.83 -22.14 46.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.907 179.915 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.804 ' HB2' HD23 ' A' ' 65' ' ' LEU . 35.0 tp -55.19 -59.02 5.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.882 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.781 ' HA ' HD21 ' A' ' 116' ' ' LEU . 0.5 OUTLIER -55.44 -28.3 53.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.885 179.829 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.624 HD12 ' HA ' ' A' ' 73' ' ' LYS . 40.5 mt -76.4 -44.77 34.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.904 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.574 HG12 ' HE2' ' A' ' 81' ' ' MET . 86.9 t -70.19 -33.93 56.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.064 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.688 HG21 HD22 ' A' ' 116' ' ' LEU . 31.2 mm -69.82 -54.54 18.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.113 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.466 ' HA ' ' HG2' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -63.89 -25.0 67.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.86 179.866 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.659 ' CE1' HD11 ' A' ' 84' ' ' LEU . 37.3 t80 -80.72 -43.52 20.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.911 -179.877 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' MET . . . . . 0.574 ' HE2' HG12 ' A' ' 77' ' ' VAL . 13.4 ptp -74.67 -31.74 62.02 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.869 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.466 ' HG2' ' HA ' ' A' ' 79' ' ' LYS . 0.0 OUTLIER -71.47 -32.06 67.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.903 179.935 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 2.4 ptm180 -71.19 -29.73 65.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.822 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.715 HD13 ' HA ' ' A' ' 41' ' ' LYS . 18.5 mt -82.31 -51.59 7.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 34.9 mtt -59.1 -27.29 65.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.856 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 51.7 mt-30 -78.5 -48.31 15.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.943 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -73.53 -13.54 61.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.966 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 6.9 m -51.9 152.65 2.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.838 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.571 HG13 ' CD ' ' A' ' 90' ' ' GLU . 3.3 p -71.16 -32.78 48.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.104 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.571 ' CD ' HG13 ' A' ' 89' ' ' VAL . 45.1 mp0 -86.14 130.99 34.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.918 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 32.4 t -71.64 -27.7 63.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.874 -179.79 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.505 HG22 ' HB3' ' A' ' 90' ' ' GLU . 25.5 m -56.52 -29.48 29.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.124 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 11.6 m95 -59.88 -33.8 72.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.938 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 12.8 m-80 -58.56 -39.17 79.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.922 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 28.8 mtm -72.5 -36.89 68.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.875 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -53.09 -43.93 67.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.082 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.783 ' CZ ' HD11 ' A' ' 101' ' ' LEU . 23.0 t80 -60.34 -42.3 95.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.865 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -67.59 -34.6 77.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.888 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 31.7 t80 -58.27 -42.75 87.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.809 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.55 ' HA ' HG22 ' A' ' 59' ' ' VAL . 6.2 mt -70.83 -39.75 75.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.15 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.783 HD11 ' CZ ' ' A' ' 97' ' ' PHE . 22.9 mt -67.37 -35.69 79.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.841 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -60.03 -27.35 66.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.848 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 7.1 m-80 -98.33 -38.63 9.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' ' 100' ' ' ILE . 84.3 t -73.8 -59.51 3.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.134 179.878 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.826 ' HA ' HD23 ' A' ' 108' ' ' LEU . 13.6 mm-40 -48.92 -29.07 4.31 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.925 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 4.1 t -70.38 -56.99 9.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.179 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.738 HG11 HG22 ' A' ' 63' ' ' THR . 5.0 p -64.64 -25.58 38.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.125 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.882 HD21 ' HA ' ' A' ' 115' ' ' THR . 0.1 OUTLIER -74.05 -39.17 63.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.876 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 109' ' ' GLN . . . . . 0.406 ' N ' ' HG ' ' A' ' 108' ' ' LEU . 21.6 mt-30 -66.03 -41.32 91.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.955 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 43.9 mt-30 -63.66 -15.4 58.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.931 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 64.6 m -95.73 -59.76 1.79 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.19 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 112' ' ' TYR . . . . . 0.475 ' CE2' HD11 ' A' ' 71' ' ' LEU . 9.4 m-85 -103.34 -43.14 5.51 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.884 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 110.69 -14.42 29.62 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.522 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 114' ' ' SER . . . . . 0.583 ' O ' HD11 ' A' ' 108' ' ' LEU . 89.7 p -95.31 -172.85 2.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.952 0.406 . . . . 0.0 110.901 -179.81 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 115' ' ' THR . . . . . 0.882 ' HA ' HD21 ' A' ' 108' ' ' LEU . 72.4 p -152.29 -178.1 6.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.182 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.781 HD21 ' HA ' ' A' ' 75' ' ' ASP . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.941 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 208' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.877 0.37 . . . . 0.0 110.916 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 209' ' ' PHE . . . . . 0.602 ' CD1' HD11 ' A' ' 47' ' ' ILE . 74.8 t80 -76.06 -38.8 56.66 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 210' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 -66.28 -25.89 67.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.931 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 211' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -72.56 -44.94 61.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.859 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 212' ' ' LYS . . . . . . . . . . . . . 8.0 ptpp? -71.55 -25.0 62.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 213' ' ' LYS . . . . . 0.454 ' HG2' HD22 ' A' ' 39' ' ' LEU . 15.2 tppt? -79.74 -50.37 10.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.924 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 214' ' ' ARG . . . . . . . . . . . . . 21.8 ptt180 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.89 179.955 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo . . . . . 0 C--O 1.231 0.142 0 CA-C-O 120.728 0.22 . . . . 0.0 112.341 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -125.94 144.24 50.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.869 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.491 HD21 HD21 ' A' ' 40' ' ' LEU . 15.4 tp -106.23 114.53 28.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.925 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 56.68 27.4 12.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.088 179.8 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 92.91 13.03 57.16 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.509 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.415 ' HB2' HD11 ' A' ' 39' ' ' LEU . . . -104.93 119.71 39.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.826 0.346 . . . . 0.0 111.058 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 28.1 t -93.57 -41.75 12.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.092 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.668 ' O ' HG23 ' A' ' 36' ' ' VAL . 55.7 mm-40 -69.58 145.64 52.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.879 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 42.8 t80 -61.15 -50.67 72.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.866 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.7 m -51.79 -37.51 51.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.831 -179.741 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -72.59 -29.45 63.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.668 HG23 ' O ' ' A' ' 32' ' ' GLU . 96.7 t -72.54 -57.2 7.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.087 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.558 ' HA ' HD12 ' A' ' 40' ' ' LEU . 3.9 ptmt -56.12 -35.34 66.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.882 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 55.4 m -62.94 -38.99 93.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.091 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.415 HD11 ' HB2' ' A' ' 30' ' ' ALA . 7.7 mt -70.45 -35.95 73.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.937 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.558 HD12 ' HA ' ' A' ' 37' ' ' LYS . 11.9 mt -71.99 -45.99 58.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.935 179.861 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.702 ' HA ' HD13 ' A' ' 84' ' ' LEU . 0.5 OUTLIER -52.65 -42.89 65.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.923 179.817 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.781 ' O ' HG22 ' A' ' 46' ' ' THR . 13.4 pt-20 -77.26 -41.96 38.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.904 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.501 ' HD1' HD13 ' A' ' 47' ' ' ILE . 35.3 t90 -63.06 -15.72 57.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.949 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.44 HG22 ' O ' ' A' ' 44' ' ' ILE . 39.2 mt -101.48 -14.21 8.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.091 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.585 HG23 ' O ' ' A' ' 41' ' ' LYS . 70.3 p -102.98 -55.91 2.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.176 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.781 HG22 ' O ' ' A' ' 42' ' ' GLU . 13.2 t -64.78 -16.91 63.68 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.13 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.597 HD11 ' CD1' ' B' ' 209' ' ' PHE . 3.2 mt -126.65 132.43 70.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.181 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 11.2 p -107.48 -32.92 7.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -110.86 81.59 2.65 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.614 0.721 . . . . 0.0 110.877 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.73 143.84 52.26 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.647 2.231 . . . . 0.0 112.339 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 63.8 mtm -92.01 156.19 17.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.87 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -52.09 -38.26 56.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.871 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 31.9 mm-40 -66.91 -45.8 76.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.869 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -57.53 -46.17 84.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.642 HG23 HD11 ' A' ' 100' ' ' ILE . 28.3 mt -72.39 -40.53 64.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.122 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.5 mt -54.78 -39.09 68.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 4.2 mm100 -54.05 -30.59 48.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.989 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 10.7 t -73.21 -35.04 46.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.151 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.537 HG22 ' HA ' ' A' ' 100' ' ' ILE . 92.4 t -62.04 -51.17 75.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.155 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 14.0 mmm180 -59.02 -26.79 64.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.861 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 61.5 t80 -75.5 -53.58 8.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.922 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' CYS . . . . . 0.428 ' HB2' HG21 ' A' ' 104' ' ' VAL . 55.5 m -65.22 -43.61 90.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.882 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.7 HG22 HG11 ' A' ' 107' ' ' VAL . 37.0 p -57.26 -28.32 62.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.137 -179.849 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 54.5 m-20 -74.14 -36.6 64.16 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.816 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.708 HD23 ' HB2' ' A' ' 74' ' ' LEU . 1.4 mp -54.0 -33.29 56.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.911 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.613 HD13 HG13 ' A' ' 107' ' ' VAL . 5.8 mt -64.68 -45.84 94.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.143 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 49.7 mm-40 -73.81 -34.29 64.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.89 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -82.63 -9.28 59.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.9 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 55.4 mmtt 64.02 41.5 6.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.909 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -112.95 35.52 3.88 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.875 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.443 HD11 ' CE1' ' A' ' 112' ' ' TYR . 37.8 mt -54.21 -23.05 13.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.91 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -50.26 -49.1 54.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.758 ' HA ' HD12 ' A' ' 76' ' ' LEU . 3.4 mtpt -78.73 -22.44 46.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.708 ' HB2' HD23 ' A' ' 65' ' ' LEU . 26.9 tp -58.71 -56.45 22.07 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.93 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.571 ' HA ' HD11 ' A' ' 116' ' ' LEU . 12.9 t0 -58.17 -28.38 64.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.798 179.869 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.758 HD12 ' HA ' ' A' ' 73' ' ' LYS . 26.8 mt -76.83 -43.74 35.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.948 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.595 HG12 ' CE ' ' A' ' 81' ' ' MET . 89.8 t -71.03 -39.3 74.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.121 179.86 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.516 HD13 ' CE ' ' A' ' 81' ' ' MET . 32.2 mm -66.12 -52.73 44.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.127 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.454 ' HA ' ' HG2' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -64.41 -25.49 68.04 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.911 179.827 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.668 ' CE1' HD11 ' A' ' 84' ' ' LEU . 42.4 t80 -80.99 -43.26 19.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.905 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' MET . . . . . 0.595 ' CE ' HG12 ' A' ' 77' ' ' VAL . 15.1 ptp -74.2 -32.84 63.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.899 179.859 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.454 ' HG2' ' HA ' ' A' ' 79' ' ' LYS . 0.0 OUTLIER -70.57 -32.12 69.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.915 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 2.2 ptm180 -71.08 -29.32 65.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.82 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.702 HD13 ' HA ' ' A' ' 41' ' ' LYS . 17.4 mt -82.48 -53.7 5.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.941 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 25.8 mtt -57.28 -27.93 62.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.815 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 60.8 mt-30 -78.72 -50.42 11.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.849 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -70.71 -10.57 59.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.957 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 5.2 m -54.96 175.83 0.05 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.505 HG13 ' CD ' ' A' ' 90' ' ' GLU . 2.9 p -98.5 -31.81 3.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.137 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.505 ' CD ' HG13 ' A' ' 89' ' ' VAL . 37.1 mp0 -85.33 131.07 34.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.874 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.6 p -70.46 -25.87 63.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.834 -179.768 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.499 HG12 ' HB3' ' A' ' 90' ' ' GLU . 10.0 p -58.11 -23.79 22.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.134 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 16.8 m95 -68.91 -35.14 76.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.976 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -57.77 -41.21 81.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.924 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 16.3 mtm -72.61 -36.5 68.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.889 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -53.19 -45.01 68.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.104 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.806 ' CZ ' HD11 ' A' ' 101' ' ' LEU . 22.9 t80 -59.95 -41.63 92.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.922 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -68.13 -34.56 76.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.85 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 33.6 t80 -58.47 -46.42 86.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.847 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.642 HD11 HG23 ' A' ' 55' ' ' ILE . 5.8 mt -67.08 -41.02 86.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.112 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.806 HD11 ' CZ ' ' A' ' 97' ' ' PHE . 20.3 mt -66.31 -36.6 83.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.896 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -59.28 -25.81 64.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -98.78 -41.24 7.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.871 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.428 HG21 ' HB2' ' A' ' 62' ' ' CYS . 82.3 t -72.49 -59.18 3.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.183 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.795 ' HA ' HD23 ' A' ' 108' ' ' LEU . 15.4 mm-40 -48.76 -29.0 4.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.951 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 4.2 t -71.34 -55.39 13.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.137 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.7 HG11 HG22 ' A' ' 63' ' ' THR . 5.2 p -66.42 -26.71 38.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.103 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.896 HD21 ' HA ' ' A' ' 115' ' ' THR . 0.1 OUTLIER -74.33 -39.0 63.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.88 179.943 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 109' ' ' GLN . . . . . 0.41 ' N ' ' HG ' ' A' ' 108' ' ' LEU . 27.4 mt-30 -67.32 -41.0 85.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.927 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -64.53 -14.47 57.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.904 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 76.7 m -95.56 -60.66 1.61 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.108 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 112' ' ' TYR . . . . . 0.499 ' CE1' HG23 ' A' ' 66' ' ' ILE . 10.7 m-85 -103.31 -42.5 5.71 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.9 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 111.54 -14.56 27.41 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.421 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 114' ' ' SER . . . . . 0.59 ' O ' HD11 ' A' ' 108' ' ' LEU . 1.1 t -93.06 -172.73 3.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.963 0.411 . . . . 0.0 110.902 -179.836 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 115' ' ' THR . . . . . 0.896 ' HA ' HD21 ' A' ' 108' ' ' LEU . 71.9 p -152.86 -177.75 6.47 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.112 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.571 HD11 ' HA ' ' A' ' 75' ' ' ASP . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.928 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 208' ' ' SER . . . . . . . . . . . . . 1.4 p . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.862 0.363 . . . . 0.0 110.851 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 209' ' ' PHE . . . . . 0.597 ' CD1' HD11 ' A' ' 47' ' ' ILE . 70.7 t80 -79.56 -51.48 9.24 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 210' ' ' PHE . . . . . . . . . . . . . 73.5 m-85 -56.32 -25.1 47.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.904 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 211' ' ' ASP . . . . . . . . . . . . . 37.7 m-20 -74.44 -46.48 39.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.84 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 212' ' ' LYS . . . . . . . . . . . . . 16.6 ptpt -77.74 -18.36 56.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 213' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -83.95 -39.22 20.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.889 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 214' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--O 1.231 0.152 0 CA-C-O 120.791 0.246 . . . . 0.0 112.369 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -125.52 150.17 47.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.84 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.583 HD21 HD21 ' A' ' 40' ' ' LEU . 5.2 tp -104.49 111.87 24.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.959 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.457 ' HB1' ' HB3' ' B' ' 214' ' ' ARG . . . 55.03 28.95 11.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.135 179.84 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 94.59 13.0 55.13 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.505 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.48 ' HB2' HD11 ' A' ' 39' ' ' LEU . . . -104.0 113.31 26.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.876 0.369 . . . . 0.0 111.111 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 41.7 t -87.86 -46.53 15.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.156 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.658 ' O ' HG23 ' A' ' 36' ' ' VAL . 19.4 mt-10 -67.89 148.03 51.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.829 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 46.4 t80 -62.36 -49.82 74.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.898 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 6.0 p -51.29 -38.08 50.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.91 -179.8 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.438 ' HB3' ' HB1' ' A' ' 30' ' ' ALA . 3.6 m-20 -72.6 -30.13 64.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.861 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.658 HG23 ' O ' ' A' ' 32' ' ' GLU . 92.5 t -73.39 -56.52 9.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.166 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.726 ' HA ' HD12 ' A' ' 40' ' ' LEU . 2.8 ptmt -56.76 -34.01 67.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.907 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 45.9 m -65.75 -38.31 88.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.112 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.48 HD11 ' HB2' ' A' ' 30' ' ' ALA . 15.6 mt -70.26 -35.99 74.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.909 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.726 HD12 ' HA ' ' A' ' 37' ' ' LYS . 5.9 mt -72.07 -45.9 58.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.887 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.719 ' HA ' HD13 ' A' ' 84' ' ' LEU . 4.2 ttpt -52.4 -43.05 64.53 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.877 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.773 ' O ' HG22 ' A' ' 46' ' ' THR . 25.5 pt-20 -77.14 -41.59 41.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.845 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.476 ' HD1' HD13 ' A' ' 47' ' ' ILE . 39.0 t90 -63.61 -15.24 57.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.946 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.449 HG22 ' O ' ' A' ' 44' ' ' ILE . 37.2 mt -101.9 -13.51 8.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.131 179.863 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.586 HG23 ' O ' ' A' ' 41' ' ' LYS . 69.2 p -103.71 -55.8 2.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.134 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.773 HG22 ' O ' ' A' ' 42' ' ' GLU . 13.1 t -66.13 -16.51 64.02 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.153 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.593 HD11 ' CD1' ' B' ' 209' ' ' PHE . 3.4 mt -128.16 126.16 65.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.128 179.858 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -106.65 -26.25 11.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.794 -179.842 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -112.44 78.03 2.49 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.57 0.7 . . . . 0.0 110.946 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.68 150.82 69.18 Favored 'Trans proline' 0 C--O 1.231 0.137 0 C-N-CA 122.737 2.291 . . . . 0.0 112.316 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 31.1 mtp -98.59 159.36 15.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.88 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -55.57 -40.71 72.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.814 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 21.1 tp10 -64.28 -48.34 76.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.961 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -55.6 -49.78 71.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.926 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 53.9 mt -67.25 -31.53 53.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.132 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.6 mt -63.74 -37.7 88.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.991 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 4.7 mm-40 -54.59 -32.74 59.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.96 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 13.8 t -71.15 -34.96 56.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.105 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.467 HG22 ' HA ' ' A' ' 100' ' ' ILE . 96.8 t -63.36 -50.8 77.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.191 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 32.6 mmm-85 -59.53 -27.23 66.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.803 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 57.6 t80 -75.29 -53.76 8.22 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.897 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' CYS . . . . . 0.415 ' HB2' HG21 ' A' ' 104' ' ' VAL . 38.9 m -64.79 -43.41 93.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.907 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.753 HG22 HG11 ' A' ' 107' ' ' VAL . 38.2 p -57.73 -28.71 64.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.092 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 31.1 m-20 -73.74 -36.73 65.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.72 HD23 ' HB2' ' A' ' 74' ' ' LEU . 1.4 mp -54.24 -33.68 58.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.912 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.604 HD13 HG13 ' A' ' 107' ' ' VAL . 5.3 mt -63.35 -48.63 86.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.188 179.83 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -73.56 -32.2 64.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.884 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -82.69 -9.13 59.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.827 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 3.1 mmmt 63.36 41.18 7.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.881 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -113.71 35.39 4.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 179.793 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 33.2 mt -53.99 -23.29 12.77 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.885 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -50.46 -49.43 55.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.8 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.772 ' HA ' HD12 ' A' ' 76' ' ' LEU . 2.1 mtpt -78.63 -22.64 46.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.72 ' HB2' HD23 ' A' ' 65' ' ' LEU . 27.3 tp -58.96 -59.46 5.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.936 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.402 ' HA ' HD21 ' A' ' 116' ' ' LEU . 5.1 t0 -56.87 -26.99 59.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.901 179.826 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.772 HD12 ' HA ' ' A' ' 73' ' ' LYS . 38.8 mt -76.97 -44.39 31.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.96 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.568 HG12 ' CE ' ' A' ' 81' ' ' MET . 89.5 t -71.9 -36.88 59.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.202 179.787 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.767 HG21 HD22 ' A' ' 116' ' ' LEU . 31.9 mm -66.67 -53.31 36.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.184 179.871 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.473 ' HA ' ' HG2' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -64.45 -25.06 67.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.861 179.839 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.694 ' CE1' HD11 ' A' ' 84' ' ' LEU . 41.6 t80 -81.13 -44.09 18.43 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.991 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' MET . . . . . 0.568 ' CE ' HG12 ' A' ' 77' ' ' VAL . 13.2 ptp -73.9 -32.93 63.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.854 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.473 ' HG2' ' HA ' ' A' ' 79' ' ' LYS . 0.0 OUTLIER -70.13 -31.87 69.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.838 179.917 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 3.5 ptm180 -71.37 -29.72 65.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.877 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.719 HD13 ' HA ' ' A' ' 41' ' ' LYS . 14.3 mt -82.1 -56.46 3.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.913 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 34.8 mtt -54.34 -27.35 35.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.859 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 55.8 mt-30 -79.63 -41.03 27.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.994 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -88.68 9.85 22.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.912 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 96.2 p -68.26 -178.11 1.01 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.874 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 3.1 p -98.76 -31.5 3.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.132 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.783 ' HB3' HG12 ' A' ' 92' ' ' VAL . 50.8 mm-40 -96.7 119.15 34.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.897 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -56.32 -25.71 49.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 -179.805 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.783 HG12 ' HB3' ' A' ' 90' ' ' GLU . 12.4 p -55.33 -30.79 25.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.165 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 5.8 m95 -62.71 -37.03 84.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.955 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 11.1 m120 -55.69 -41.11 73.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.899 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 20.2 mtm -72.36 -35.22 68.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.867 179.83 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -54.54 -40.79 69.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.143 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.753 ' CZ ' HD11 ' A' ' 101' ' ' LEU . 25.3 t80 -61.46 -48.65 80.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.864 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 37.2 t0 -60.57 -37.83 82.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.935 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 21.0 t80 -55.57 -44.83 77.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.832 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.467 ' HA ' HG22 ' A' ' 59' ' ' VAL . 9.3 mt -66.67 -47.94 81.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.051 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.753 HD11 ' CZ ' ' A' ' 97' ' ' PHE . 28.9 mt -59.79 -37.61 79.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.919 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -58.15 -25.46 61.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 179.787 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 6.9 m-80 -98.73 -42.4 7.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.919 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.415 HG21 ' HB2' ' A' ' 62' ' ' CYS . 79.3 t -71.58 -59.0 3.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.135 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.809 ' HA ' HD23 ' A' ' 108' ' ' LEU . 17.6 mm-40 -48.78 -28.82 3.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.933 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 4.8 t -72.09 -54.28 17.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.119 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.753 HG11 HG22 ' A' ' 63' ' ' THR . 5.4 p -67.06 -26.16 35.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.103 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.852 HD21 ' HA ' ' A' ' 115' ' ' THR . 0.1 OUTLIER -74.03 -38.4 64.04 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.844 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 109' ' ' GLN . . . . . 0.401 ' N ' ' HG ' ' A' ' 108' ' ' LEU . 18.1 mt-30 -67.15 -41.14 86.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 -63.98 -14.93 57.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 60.5 m -95.77 -60.59 1.61 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.152 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 112' ' ' TYR . . . . . 0.477 ' CE1' HG23 ' A' ' 66' ' ' ILE . 12.1 m-85 -102.12 -42.93 5.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.027 0.442 . . . . 0.0 110.949 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 111.59 -14.38 27.34 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.43 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 114' ' ' SER . . . . . 0.581 ' O ' HD11 ' A' ' 108' ' ' LEU . 0.9 OUTLIER -95.03 -174.0 3.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.943 0.402 . . . . 0.0 110.86 -179.734 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 115' ' ' THR . . . . . 0.852 ' HA ' HD21 ' A' ' 108' ' ' LEU . 74.9 p -152.56 -177.79 6.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.109 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.767 HD22 HG21 ' A' ' 78' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 208' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.871 0.367 . . . . 0.0 110.88 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 209' ' ' PHE . . . . . 0.593 ' CD1' HD11 ' A' ' 47' ' ' ILE . 70.8 t80 -82.28 -39.27 23.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.905 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 210' ' ' PHE . . . . . . . . . . . . . 30.3 m-85 -65.65 -26.69 67.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.875 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 211' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -76.64 -42.91 40.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 212' ' ' LYS . . . . . . . . . . . . . 7.3 ptmt -76.74 -24.64 53.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 213' ' ' LYS . . . . . . . . . . . . . 2.4 tppt? -82.89 -49.86 9.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.869 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 214' ' ' ARG . . . . . 0.457 ' HB3' ' HB1' ' A' ' 28' ' ' ALA . 52.2 ptt85 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.865 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo . . . . . 0 N--CA 1.466 -0.146 0 CA-C-O 120.723 0.218 . . . . 0.0 112.337 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.457 ' CG ' HG22 ' A' ' 31' ' ' VAL . 3.1 m-20 -125.17 151.43 45.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.845 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.494 HD21 HD21 ' A' ' 40' ' ' LEU . 8.9 tp -107.23 114.14 27.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.925 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 54.54 27.79 8.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.182 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 94.95 13.08 54.38 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.521 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.463 ' HB2' HD11 ' A' ' 39' ' ' LEU . . . -103.86 113.16 26.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.819 0.343 . . . . 0.0 111.14 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.457 HG22 ' CG ' ' A' ' 26' ' ' ASN . 21.7 t -90.79 -37.04 8.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.101 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.736 ' O ' HG23 ' A' ' 36' ' ' VAL . 5.9 mm-40 -72.06 143.5 49.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.931 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 43.9 t80 -61.52 -51.17 69.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.835 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 52.2 p -52.28 -36.96 54.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -73.49 -29.5 62.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.83 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.736 HG23 ' O ' ' A' ' 32' ' ' GLU . 91.5 t -72.15 -56.42 10.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.191 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.509 ' HA ' HD12 ' A' ' 40' ' ' LEU . 4.8 ptmt -57.19 -31.99 66.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.854 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 54.3 m -67.04 -40.03 87.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.165 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.463 HD11 ' HB2' ' A' ' 30' ' ' ALA . 8.9 mt -69.62 -35.13 74.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.509 HD12 ' HA ' ' A' ' 37' ' ' LYS . 14.2 mt -71.95 -46.97 55.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.936 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.703 ' HA ' HD13 ' A' ' 84' ' ' LEU . 9.5 ttpt -52.1 -42.76 63.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.937 179.781 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.772 ' O ' HG22 ' A' ' 46' ' ' THR . 12.7 pt-20 -77.32 -41.96 38.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.883 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.476 ' HD1' HD13 ' A' ' 47' ' ' ILE . 39.1 t90 -63.8 -15.25 58.28 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.865 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.461 HG22 ' O ' ' A' ' 44' ' ' ILE . 33.4 mt -101.89 -12.78 8.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.121 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.584 HG23 ' O ' ' A' ' 41' ' ' LYS . 76.0 p -104.32 -55.8 2.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.131 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.772 HG22 ' O ' ' A' ' 42' ' ' GLU . 13.3 t -66.4 -15.72 63.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.175 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.621 HD11 ' CD1' ' B' ' 209' ' ' PHE . 3.4 mt -128.94 128.07 66.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.146 179.841 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -106.94 -25.16 11.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.794 -179.882 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -116.97 82.03 12.99 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-O 121.573 0.701 . . . . 0.0 110.826 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 148.59 65.56 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.626 2.217 . . . . 0.0 112.368 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 23.2 ttm -90.38 152.6 20.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.834 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -52.78 -34.13 51.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.835 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -71.52 -47.78 53.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.889 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -55.43 -47.67 75.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.836 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 51.2 mt -65.54 -31.64 54.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.123 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.4 mt -62.71 -38.98 92.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.933 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 8.0 mm-40 -54.52 -32.36 57.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.853 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 17.2 t -71.3 -34.62 54.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.135 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.604 HG22 ' HA ' ' A' ' 100' ' ' ILE . 96.1 t -65.63 -51.18 65.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.156 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 23.2 mmt85 -60.42 -26.0 66.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 61.1 t80 -75.26 -52.17 11.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.915 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 66.1 m -67.84 -45.51 74.44 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.866 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.589 HG23 HG22 ' A' ' 104' ' ' VAL . 46.4 p -56.35 -26.78 53.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.134 -179.882 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 60.6 m-20 -73.45 -37.81 65.71 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.826 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.669 HD23 ' HB2' ' A' ' 74' ' ' LEU . 1.6 mp -54.48 -33.02 58.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.911 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.667 HD13 HG13 ' A' ' 107' ' ' VAL . 3.2 mt -64.21 -44.78 97.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.114 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -73.88 -35.24 64.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.941 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 35.0 mm-40 -82.49 -9.01 59.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.904 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 27.4 mmtt 64.6 40.58 5.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.886 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -112.65 36.53 3.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.916 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 33.5 mt -54.15 -22.99 12.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.91 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 -50.37 -48.46 55.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.829 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.696 ' HA ' HD12 ' A' ' 76' ' ' LEU . 1.4 mtpm? -78.74 -22.39 46.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.833 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.669 ' HB2' HD23 ' A' ' 65' ' ' LEU . 25.2 tp -59.91 -50.54 73.36 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.913 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.533 ' HA ' HD21 ' A' ' 116' ' ' LEU . 0.9 OUTLIER -62.61 -29.26 70.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.875 179.815 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.696 HD12 ' HA ' ' A' ' 73' ' ' LYS . 21.3 mt -76.85 -45.26 29.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.829 -179.887 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.574 HG12 ' CE ' ' A' ' 81' ' ' MET . 99.3 t -70.21 -42.29 78.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.138 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.796 HG21 HD22 ' A' ' 116' ' ' LEU . 27.1 mm -64.17 -52.36 57.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.109 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.465 ' HA ' ' HG2' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -64.3 -25.31 67.99 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.863 179.852 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.664 ' CE1' HD11 ' A' ' 84' ' ' LEU . 38.2 t80 -80.64 -43.42 20.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.929 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' MET . . . . . 0.574 ' CE ' HG12 ' A' ' 77' ' ' VAL . 14.5 ptp -74.38 -32.79 62.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.891 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.465 ' HG2' ' HA ' ' A' ' 79' ' ' LYS . 0.0 OUTLIER -70.51 -31.99 69.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.922 179.936 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 1.6 ptm180 -71.2 -29.52 65.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.848 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.703 HD13 ' HA ' ' A' ' 41' ' ' LYS . 19.1 mt -82.51 -55.33 4.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.851 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 29.6 mtt -55.25 -26.25 38.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.842 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 57.7 mt-30 -81.27 -55.07 4.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.877 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -65.41 -14.7 61.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.904 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 2.1 m -51.95 164.76 0.24 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.81 -179.702 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 2.4 m -85.35 -26.28 6.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.065 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.423 ' HB3' HG22 ' A' ' 92' ' ' VAL . 3.6 mm-40 -94.68 128.44 41.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 53.8 p -70.56 -25.71 63.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.842 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.423 HG22 ' HB3' ' A' ' 90' ' ' GLU . 29.2 m -55.02 -26.14 17.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.109 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 9.2 m95 -68.3 -35.45 77.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.935 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 9.8 m120 -56.17 -38.7 71.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.895 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 19.6 mtm -72.42 -39.26 68.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -53.18 -38.92 63.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.072 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.784 ' CZ ' HD11 ' A' ' 101' ' ' LEU . 24.8 t80 -64.4 -48.64 74.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.848 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 39.3 t0 -60.42 -34.08 73.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.872 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 37.6 t80 -58.61 -48.74 79.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.908 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.604 ' HA ' HG22 ' A' ' 59' ' ' VAL . 5.7 mt -63.6 -39.02 83.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.162 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.784 HD11 ' CZ ' ' A' ' 97' ' ' PHE . 26.8 mt -69.71 -33.86 73.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -59.52 -29.32 67.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.86 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 20.2 m-80 -97.99 -37.74 9.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.89 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.589 HG22 HG23 ' A' ' 63' ' ' THR . 82.1 t -73.43 -60.64 2.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.14 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.829 ' HA ' HD23 ' A' ' 108' ' ' LEU . 18.5 mm-40 -49.22 -29.47 5.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.85 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 3.3 t -70.58 -53.2 23.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.065 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.667 HG13 HD13 ' A' ' 66' ' ' ILE . 7.5 p -68.7 -24.98 29.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.096 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.875 HD21 ' HA ' ' A' ' 115' ' ' THR . 0.1 OUTLIER -74.16 -38.81 63.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.939 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 109' ' ' GLN . . . . . 0.406 ' N ' ' HG ' ' A' ' 108' ' ' LEU . 24.7 mt-30 -66.17 -41.02 90.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.921 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -64.46 -14.85 59.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 73.6 m -95.63 -59.35 1.89 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.094 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 11.9 m-85 -104.44 -42.87 5.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.892 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 111.15 -14.3 28.45 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.426 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 114' ' ' SER . . . . . 0.592 ' O ' HD11 ' A' ' 108' ' ' LEU . 1.2 t -95.14 -173.24 2.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.933 0.397 . . . . 0.0 110.827 -179.698 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 115' ' ' THR . . . . . 0.875 ' HA ' HD21 ' A' ' 108' ' ' LEU . 67.4 p -152.48 -177.91 6.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.115 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.796 HD22 HG21 ' A' ' 78' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.912 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 208' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.953 0.406 . . . . 0.0 110.86 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 209' ' ' PHE . . . . . 0.621 ' CD1' HD11 ' A' ' 47' ' ' ILE . 76.9 t80 -69.01 -44.14 73.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.885 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 210' ' ' PHE . . . . . . . . . . . . . 28.8 m-85 -61.73 -25.44 67.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.904 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 211' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -73.25 -46.77 48.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.845 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 212' ' ' LYS . . . . . . . . . . . . . 7.7 ptpp? -71.08 -23.95 62.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.931 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 213' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -82.29 -49.43 10.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 214' ' ' ARG . . . . . . . . . . . . . 41.8 ptt85 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.907 179.997 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo . . . . . 0 N--CA 1.465 -0.191 0 CA-C-O 120.805 0.252 . . . . 0.0 112.292 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -125.97 147.57 49.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.835 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.63 HD21 HD21 ' A' ' 40' ' ' LEU . 10.4 tp -108.23 115.95 31.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.876 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 56.37 29.83 15.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.13 179.766 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 89.37 13.15 62.05 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.493 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -104.92 119.39 38.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.853 0.359 . . . . 0.0 111.052 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 21.8 t -93.74 -36.92 7.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.109 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.74 ' O ' HG23 ' A' ' 36' ' ' VAL . 33.2 mm-40 -72.82 146.27 46.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.916 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 42.1 t80 -62.85 -51.02 68.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.857 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 12.2 p -51.72 -37.58 51.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.872 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -73.26 -29.41 62.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.879 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.74 HG23 ' O ' ' A' ' 32' ' ' GLU . 88.8 t -72.36 -57.23 7.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.123 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.418 ' HA ' HD12 ' A' ' 40' ' ' LEU . 3.2 ptmt -56.62 -34.85 67.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 55.5 m -64.98 -36.87 85.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.16 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 12.9 mt -70.52 -36.62 73.85 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.932 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.63 HD21 HD21 ' A' ' 27' ' ' LEU . 13.8 mt -72.26 -46.18 57.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.909 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.728 ' HA ' HD13 ' A' ' 84' ' ' LEU . 0.9 OUTLIER -52.05 -43.0 63.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.899 179.805 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.776 ' O ' HG22 ' A' ' 46' ' ' THR . 12.0 pt-20 -77.17 -41.78 40.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.927 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.51 ' HD1' HD13 ' A' ' 47' ' ' ILE . 34.7 t90 -63.85 -15.26 58.46 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.885 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.474 HG22 ' O ' ' A' ' 44' ' ' ILE . 35.3 mt -102.23 -11.9 8.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.161 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.575 HG23 ' O ' ' A' ' 41' ' ' LYS . 77.4 p -105.58 -55.98 2.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.137 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.776 HG22 ' O ' ' A' ' 42' ' ' GLU . 12.6 t -66.9 -16.85 64.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.12 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.575 HD11 ' CD1' ' B' ' 209' ' ' PHE . 3.4 mt -128.05 127.58 67.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.139 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.8 m -106.81 -26.39 11.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.853 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -113.85 80.98 5.53 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.623 0.725 . . . . 0.0 110.884 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.83 147.93 63.53 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.652 2.235 . . . . 0.0 112.404 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 11.6 ttp -95.48 167.51 11.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.901 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.43 -58.1 9.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.923 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -51.72 -31.33 25.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -69.94 -49.89 47.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.896 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 63.4 mt -66.22 -42.76 91.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.145 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -51.84 -40.07 59.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 8.9 mm-40 -54.04 -32.18 53.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.875 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 12.0 t -72.98 -34.7 46.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.095 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.538 HG22 ' HA ' ' A' ' 100' ' ' ILE . 91.3 t -67.7 -52.45 40.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.156 179.877 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 40.8 mmm-85 -58.64 -25.8 63.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.913 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 69.9 t80 -75.46 -52.08 11.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.956 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 56.9 m -67.3 -46.1 74.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.892 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.74 HG22 HG11 ' A' ' 107' ' ' VAL . 34.8 p -53.51 -28.44 31.16 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.218 -179.864 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 43.2 m-20 -73.71 -38.02 64.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.894 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.813 HD23 ' HB2' ' A' ' 74' ' ' LEU . 1.0 OUTLIER -54.31 -32.78 57.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.891 -179.931 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.609 HD13 HG13 ' A' ' 107' ' ' VAL . 6.0 mt -65.46 -48.59 82.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.117 179.859 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -73.39 -28.38 61.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -86.96 -10.07 54.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 3.9 mmmm 63.99 42.96 5.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.922 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -115.64 35.72 4.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.853 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.629 HD11 ' CE2' ' A' ' 112' ' ' TYR . 21.4 mt -58.01 -17.25 16.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.96 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -50.15 -54.9 17.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.911 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.622 ' HA ' HD12 ' A' ' 76' ' ' LEU . 0.0 OUTLIER -78.92 -22.2 46.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.923 179.939 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.813 ' HB2' HD23 ' A' ' 65' ' ' LEU . 37.0 tp -53.59 -52.79 58.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.932 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.44 -27.77 68.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.862 179.855 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.622 HD12 ' HA ' ' A' ' 73' ' ' LYS . 42.3 mt -76.68 -44.01 35.49 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.928 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.497 HG12 ' CE ' ' A' ' 81' ' ' MET . 86.4 t -70.43 -40.55 77.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.149 179.793 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.773 HG21 HD22 ' A' ' 116' ' ' LEU . 29.6 mm -64.96 -53.07 45.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.174 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.46 ' HA ' ' HG2' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -64.36 -25.16 67.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.912 179.819 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.698 ' CE1' HD11 ' A' ' 84' ' ' LEU . 42.3 t80 -80.92 -43.42 19.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' MET . . . . . 0.526 ' CE ' HD13 ' A' ' 78' ' ' ILE . 12.6 ptp -74.58 -31.88 62.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.853 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.46 ' HG2' ' HA ' ' A' ' 79' ' ' LYS . 0.0 OUTLIER -71.32 -32.2 68.31 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.872 179.956 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 2.3 ptm180 -71.52 -28.69 64.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.867 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.728 HD13 ' HA ' ' A' ' 41' ' ' LYS . 16.1 mt -82.67 -55.36 4.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 26.0 mtt -55.87 -25.98 44.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.933 179.804 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 51.3 mt-30 -80.85 -42.43 21.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.977 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -85.52 4.59 35.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.86 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 98.6 p -64.76 -177.41 0.33 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.858 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 2.9 p -100.12 -31.28 3.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.163 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.665 ' HB3' HG12 ' A' ' 92' ' ' VAL . 5.2 mm-40 -91.71 135.68 33.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.952 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 2.7 t -71.73 -23.72 61.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 -179.767 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.665 HG12 ' HB3' ' A' ' 90' ' ' GLU . 10.6 p -60.68 -28.93 43.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.153 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 4.6 m95 -64.05 -37.1 86.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.912 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -57.82 -41.99 83.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.899 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 17.6 mtm -72.65 -35.1 67.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.897 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -53.35 -44.92 68.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.095 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.79 ' CZ ' HD11 ' A' ' 101' ' ' LEU . 23.5 t80 -59.38 -44.98 92.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.884 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 42.2 t0 -62.46 -39.01 92.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 24.9 t80 -55.61 -48.75 74.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.896 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.538 ' HA ' HG22 ' A' ' 59' ' ' VAL . 9.2 mt -62.5 -40.3 87.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.171 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.79 HD11 ' CZ ' ' A' ' 97' ' ' PHE . 23.0 mt -67.78 -35.44 78.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.917 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -60.08 -27.31 66.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 179.835 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 5.2 m-80 -98.44 -38.21 9.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.894 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.476 HG23 ' O ' ' A' ' 100' ' ' ILE . 83.5 t -74.34 -59.32 3.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.078 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.822 ' HA ' HD23 ' A' ' 108' ' ' LEU . 13.4 mm-40 -48.96 -28.95 4.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.85 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 4.6 t -70.55 -56.98 9.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.116 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.74 HG11 HG22 ' A' ' 63' ' ' THR . 5.0 p -64.62 -25.63 38.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.108 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.862 HD21 ' HA ' ' A' ' 115' ' ' THR . 0.1 OUTLIER -74.04 -39.11 63.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.917 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 109' ' ' GLN . . . . . 0.404 ' N ' ' HG ' ' A' ' 108' ' ' LEU . 17.3 mt-30 -66.32 -41.22 89.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.942 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 -63.42 -15.58 58.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.93 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 55.5 m -95.68 -60.64 1.61 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.075 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 112' ' ' TYR . . . . . 0.629 ' CE2' HD11 ' A' ' 71' ' ' LEU . 7.6 m-85 -102.42 -43.06 5.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.957 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 111.01 -14.52 28.74 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.527 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 114' ' ' SER . . . . . 0.579 ' O ' HD11 ' A' ' 108' ' ' LEU . 1.0 OUTLIER -94.46 -174.27 3.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.004 0.43 . . . . 0.0 110.883 -179.754 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 115' ' ' THR . . . . . 0.862 ' HA ' HD21 ' A' ' 108' ' ' LEU . 68.0 p -152.49 -178.21 6.7 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.138 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.773 HD22 HG21 ' A' ' 78' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.895 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 208' ' ' SER . . . . . . . . . . . . . 34.3 p . . . . . 0 N--CA 1.457 -0.079 0 CA-C-O 120.939 0.4 . . . . 0.0 110.857 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 209' ' ' PHE . . . . . 0.575 ' CD1' HD11 ' A' ' 47' ' ' ILE . 80.1 t80 -82.58 -46.81 12.87 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.869 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 210' ' ' PHE . . . . . . . . . . . . . 67.8 m-85 -62.41 -24.68 67.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.863 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 211' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -76.23 -43.02 44.04 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.868 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 212' ' ' LYS . . . . . . . . . . . . . 19.3 ptpt -77.34 -23.91 50.82 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 213' ' ' LYS . . . . . . . . . . . . . 8.3 tmtt? -83.38 -44.57 14.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.884 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 214' ' ' ARG . . . . . . . . . . . . . 13.4 ptp180 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.865 179.971 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo . . . . . 0 N--CA 1.466 -0.106 0 CA-C-O 120.745 0.227 . . . . 0.0 112.426 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -126.16 135.32 51.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.921 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.574 HD21 HD21 ' A' ' 40' ' ' LEU . 12.5 tp -102.78 113.51 26.98 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.941 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 56.81 27.65 13.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.042 179.805 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 92.36 13.03 57.85 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.487 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.475 ' HB2' HD11 ' A' ' 39' ' ' LEU . . . -106.83 118.74 37.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.814 0.34 . . . . 0.0 111.065 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 22.0 t -95.38 -38.35 8.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.153 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.739 ' O ' HG23 ' A' ' 36' ' ' VAL . 6.4 mm-40 -72.22 143.48 48.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.933 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 43.3 t80 -58.53 -51.33 70.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.868 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.49 -37.47 49.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.837 -179.76 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -75.61 -29.72 59.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.922 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.739 HG23 ' O ' ' A' ' 32' ' ' GLU . 99.0 t -73.54 -49.43 36.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.088 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.526 ' HA ' HD12 ' A' ' 40' ' ' LEU . 6.3 pttt -63.48 -30.43 71.55 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 54.9 m -67.48 -39.99 85.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.224 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.475 HD11 ' HB2' ' A' ' 30' ' ' ALA . 15.1 mt -67.14 -37.53 83.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.925 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.574 HD21 HD21 ' A' ' 27' ' ' LEU . 8.7 mt -71.87 -45.06 62.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.728 ' HA ' HD13 ' A' ' 84' ' ' LEU . 9.0 ttpt -52.94 -44.54 67.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 179.868 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.794 ' O ' HG22 ' A' ' 46' ' ' THR . 23.1 pt-20 -77.26 -39.75 47.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.862 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.56 ' HD1' HD13 ' A' ' 47' ' ' ILE . 28.6 t90 -64.06 -14.87 57.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.893 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.475 HG22 ' O ' ' A' ' 44' ' ' ILE . 33.6 mt -103.36 -11.69 9.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.144 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.609 HG23 ' O ' ' A' ' 41' ' ' LYS . 81.2 p -105.09 -55.75 2.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.229 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.794 HG22 ' O ' ' A' ' 42' ' ' GLU . 12.7 t -68.7 -11.6 60.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.151 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.562 HD12 HG23 ' A' ' 46' ' ' THR . 3.2 mt -133.36 128.69 55.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.058 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -107.03 -25.59 11.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.865 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -114.35 81.71 6.88 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.671 0.748 . . . . 0.0 110.901 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 148.04 64.27 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.685 2.257 . . . . 0.0 112.369 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 7.1 ttp -93.59 148.02 22.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.868 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.694 ' HA ' HD12 ' A' ' 55' ' ' ILE . 4.9 tp10 -52.46 -52.27 55.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.889 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -51.78 -51.48 56.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -56.68 -34.09 67.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.863 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.694 HD12 ' HA ' ' A' ' 52' ' ' GLU . 20.0 mt -71.62 -41.68 71.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.17 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.405 HD23 ' O ' ' A' ' 52' ' ' GLU . 4.0 mm? -51.97 -38.21 55.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.884 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 3.0 mm-40 -56.36 -32.19 64.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.885 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 13.0 t -71.58 -34.67 53.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.175 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.573 HG22 ' HA ' ' A' ' 100' ' ' ILE . 88.4 t -67.35 -51.22 54.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.101 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 26.3 mmt180 -60.15 -26.31 66.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.459 ' OH ' HG21 ' A' ' 36' ' ' VAL . 59.3 t80 -74.87 -52.95 9.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.916 -179.847 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 57.4 m -66.88 -45.76 77.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.937 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.563 HG23 HG22 ' A' ' 104' ' ' VAL . 43.7 p -55.94 -26.01 45.95 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.165 -179.897 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 30.8 m-20 -73.54 -37.99 65.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.854 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.651 HD23 ' HB2' ' A' ' 74' ' ' LEU . 1.3 mp -54.74 -36.06 64.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.878 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.651 HD13 HG13 ' A' ' 107' ' ' VAL . 3.6 mt -61.66 -45.73 98.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.115 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -74.12 -34.13 63.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.897 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 68.4 mm-40 -82.58 -7.31 59.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.894 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 6.6 mmmt 63.55 39.94 8.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.893 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 35.7 m-20 -112.79 36.66 3.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.934 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.546 HD11 ' CZ ' ' A' ' 112' ' ' TYR . 33.9 mt -54.01 -23.04 12.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.867 -179.856 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -50.21 -49.27 53.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.889 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.723 ' HA ' HD12 ' A' ' 76' ' ' LEU . 1.3 mtpp -78.79 -22.87 45.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.651 ' HB2' HD23 ' A' ' 65' ' ' LEU . 22.0 tp -60.81 -62.05 2.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.936 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -53.31 -28.68 29.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.851 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.723 HD12 ' HA ' ' A' ' 73' ' ' LYS . 27.1 mt -76.66 -44.96 31.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.917 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.638 HG23 ' O ' ' A' ' 73' ' ' LYS . 87.7 t -69.93 -33.43 55.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.125 179.834 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.721 HG21 HD22 ' A' ' 116' ' ' LEU . 31.9 mm -70.22 -55.43 14.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.126 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.459 ' HA ' ' HG2' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -62.58 -25.19 67.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.933 179.828 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.673 ' CE1' HD11 ' A' ' 84' ' ' LEU . 52.9 t80 -79.32 -44.28 21.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.874 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' MET . . . . . 0.535 ' CE ' HG12 ' A' ' 77' ' ' VAL . 15.2 ptp -74.42 -32.1 62.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.923 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.459 ' HG2' ' HA ' ' A' ' 79' ' ' LYS . 0.0 OUTLIER -70.19 -31.67 69.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 179.926 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 1.6 ptm180 -73.04 -29.8 63.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.905 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.728 HD13 ' HA ' ' A' ' 41' ' ' LYS . 17.0 mt -82.51 -55.9 4.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.881 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 39.1 mtt -54.41 -27.28 35.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.939 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 60.4 mt-30 -80.56 -55.4 4.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -64.22 -15.81 60.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.863 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 2.8 m -53.98 174.94 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 -179.776 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 3.1 p -94.96 -32.57 4.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.148 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.648 ' HB3' HG12 ' A' ' 92' ' ' VAL . 8.8 mm-40 -83.18 123.98 30.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.917 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 9.2 m -67.87 -26.47 66.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 -179.788 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.648 HG12 ' HB3' ' A' ' 90' ' ' GLU . 10.8 p -55.84 -25.87 19.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.124 179.886 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 16.6 m95 -65.27 -27.09 68.39 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.868 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 8.5 m-80 -66.36 -39.64 89.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.895 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 11.1 mtt -72.34 -39.66 67.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.941 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -54.93 -43.19 73.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.121 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.812 ' CZ ' HD11 ' A' ' 101' ' ' LEU . 24.7 t80 -60.52 -43.91 96.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -66.41 -33.94 76.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.807 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 38.2 t80 -60.02 -47.68 84.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.951 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.573 ' HA ' HG22 ' A' ' 59' ' ' VAL . 6.4 mt -65.39 -37.51 80.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.144 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.812 HD11 ' CZ ' ' A' ' 97' ' ' PHE . 7.8 mt -71.49 -33.2 69.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.955 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -60.26 -28.27 67.92 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.871 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 9.8 m-80 -98.21 -37.88 9.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.829 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.563 HG22 HG23 ' A' ' 63' ' ' THR . 80.6 t -73.71 -59.74 3.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.16 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.816 ' HA ' HD23 ' A' ' 108' ' ' LEU . 9.5 mm-40 -49.19 -29.72 5.94 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.933 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 4.4 t -70.66 -55.09 15.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.066 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.651 HG13 HD13 ' A' ' 66' ' ' ILE . 7.6 p -65.98 -24.8 34.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.185 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.854 HD21 ' HA ' ' A' ' 115' ' ' THR . 0.1 OUTLIER -74.17 -39.19 63.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.898 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 109' ' ' GLN . . . . . 0.404 ' N ' ' HG ' ' A' ' 108' ' ' LEU . 32.6 mt-30 -66.38 -41.11 89.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.868 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 -64.73 -14.39 58.52 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.926 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 84.5 m -95.64 -60.82 1.57 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.153 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 112' ' ' TYR . . . . . 0.546 ' CZ ' HD11 ' A' ' 71' ' ' LEU . 10.6 m-85 -101.69 -43.3 5.9 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.962 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 105.4 42.57 1.72 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.513 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 114' ' ' SER . . . . . 0.412 ' O ' HD11 ' A' ' 108' ' ' LEU . 1.2 t -153.57 179.42 8.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.957 0.408 . . . . 0.0 110.89 -179.761 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 115' ' ' THR . . . . . 0.854 ' HA ' HD21 ' A' ' 108' ' ' LEU . 69.4 p -152.03 150.74 30.31 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.114 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.721 HD22 HG21 ' A' ' 78' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.886 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 208' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.867 0.365 . . . . 0.0 110.918 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 209' ' ' PHE . . . . . 0.545 ' CD1' HD11 ' A' ' 47' ' ' ILE . 72.9 t80 -64.99 -45.32 86.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.774 -179.851 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 210' ' ' PHE . . . . . . . . . . . . . 40.2 m-85 -61.83 -25.44 67.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.821 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 211' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -76.57 -44.29 35.29 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.871 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 212' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.4 -18.92 56.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.953 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 213' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -86.62 -45.54 10.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.912 179.863 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 214' ' ' ARG . . . . . . . . . . . . . 26.5 ptt180 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.882 179.984 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.23 0.104 0 CA-C-O 120.762 0.234 . . . . 0.0 112.31 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -123.65 137.93 54.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.917 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.532 HD21 HD21 ' A' ' 40' ' ' LEU . 4.2 tp -102.13 114.09 27.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.968 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.46 ' HB3' HD13 ' A' ' 39' ' ' LEU . . . 55.93 31.23 17.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.095 179.841 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 89.29 12.69 62.83 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.507 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.576 ' HB2' HD11 ' A' ' 39' ' ' LEU . . . -105.45 117.75 34.82 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.796 0.332 . . . . 0.0 111.092 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 23.5 t -93.75 -41.36 12.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.163 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.743 ' O ' HG23 ' A' ' 36' ' ' VAL . 38.8 mt-10 -71.26 145.17 49.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.914 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 45.8 t80 -60.11 -50.35 74.05 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.873 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -52.12 -37.2 53.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.849 -179.758 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 61.0 m-20 -74.76 -29.45 61.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.897 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.743 HG23 ' O ' ' A' ' 32' ' ' GLU . 81.8 t -71.09 -54.42 17.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.161 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.446 ' HA ' HD12 ' A' ' 40' ' ' LEU . 6.3 pttt -58.93 -32.32 69.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.817 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 63.5 m -65.75 -39.2 90.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.132 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.576 HD11 ' HB2' ' A' ' 30' ' ' ALA . 19.5 mt -69.52 -36.38 76.36 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.937 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.532 HD21 HD21 ' A' ' 27' ' ' LEU . 14.1 mt -71.97 -45.99 58.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.928 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.715 ' HA ' HD13 ' A' ' 84' ' ' LEU . 11.3 ttpt -52.86 -43.7 66.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.892 179.798 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.781 ' O ' HG22 ' A' ' 46' ' ' THR . 25.2 pt-20 -77.45 -41.13 40.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.86 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.52 ' HD1' HD13 ' A' ' 47' ' ' ILE . 33.1 t90 -63.24 -15.42 57.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.93 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.453 HG22 ' O ' ' A' ' 44' ' ' ILE . 38.1 mt -102.11 -13.39 8.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.162 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.582 HG23 ' O ' ' A' ' 41' ' ' LYS . 71.7 p -103.78 -56.12 2.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.148 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.781 HG22 ' O ' ' A' ' 42' ' ' GLU . 12.7 t -66.64 -17.54 64.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.092 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.557 HD12 HG23 ' A' ' 46' ' ' THR . 3.2 mt -128.03 127.17 67.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.159 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -106.82 -25.76 11.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.858 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 86.4 m-20 -112.6 79.6 3.24 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.612 0.72 . . . . 0.0 110.906 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.66 143.26 50.75 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.706 2.27 . . . . 0.0 112.376 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 65.3 mtm -91.46 166.79 12.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.844 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -63.85 -57.76 8.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -51.67 -31.55 26.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.909 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -73.08 -39.75 65.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.909 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 19.6 mt -71.87 -41.81 69.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.144 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -52.15 -38.55 57.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.912 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -54.16 -31.26 52.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.945 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 11.7 t -73.46 -34.67 43.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.094 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.452 HG22 ' HA ' ' A' ' 100' ' ' ILE . 96.8 t -67.96 -51.83 45.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.089 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 16.8 mmm180 -58.72 -25.7 63.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.89 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.404 ' CG ' HD13 ' A' ' 27' ' ' LEU . 67.8 t80 -75.53 -51.84 12.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.862 -179.841 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' CYS . . . . . 0.414 ' HB2' HG21 ' A' ' 104' ' ' VAL . 33.5 m -67.44 -46.06 74.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.958 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.798 HG22 HG11 ' A' ' 107' ' ' VAL . 34.8 p -53.94 -27.73 32.81 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.185 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 71.5 m-20 -73.97 -37.51 64.47 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.857 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.808 HD23 ' HB2' ' A' ' 74' ' ' LEU . 0.9 OUTLIER -54.22 -37.97 65.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.906 -179.938 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.608 ' HA ' HD21 ' A' ' 71' ' ' LEU . 6.0 mt -59.97 -48.05 89.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.116 179.85 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -73.16 -32.98 65.21 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.938 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 48.0 mm-40 -83.91 -2.37 56.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.901 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 57.08 42.92 25.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.857 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -114.32 34.15 4.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.882 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.757 HD11 ' CE2' ' A' ' 112' ' ' TYR . 21.4 mt -56.6 -18.66 12.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.96 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -50.29 -54.82 18.65 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.886 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.784 ' HE2' HD11 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -78.56 -22.27 47.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.939 179.928 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.808 ' HB2' HD23 ' A' ' 65' ' ' LEU . 39.5 tp -53.94 -53.7 49.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.978 179.888 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.697 ' HA ' HD11 ' A' ' 116' ' ' LEU . 0.2 OUTLIER -61.61 -27.2 68.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 179.785 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.652 HD12 ' HA ' ' A' ' 73' ' ' LYS . 48.3 mt -76.7 -42.65 40.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.874 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.465 HG12 ' CE ' ' A' ' 81' ' ' MET . 92.4 t -70.79 -42.34 77.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.189 179.797 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.548 HD13 ' CE ' ' A' ' 81' ' ' MET . 30.4 mm -63.07 -53.72 42.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.147 179.862 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.446 ' HA ' ' HG2' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -63.8 -25.1 68.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.842 179.917 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.674 ' CE1' HD11 ' A' ' 84' ' ' LEU . 38.9 t80 -80.09 -43.7 21.3 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.885 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' MET . . . . . 0.548 ' CE ' HD13 ' A' ' 78' ' ' ILE . 14.3 ptp -74.42 -31.95 62.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.842 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.446 ' HG2' ' HA ' ' A' ' 79' ' ' LYS . 0.0 OUTLIER -70.94 -32.09 68.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.892 179.912 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 2.4 ptm180 -71.2 -29.73 65.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.715 HD13 ' HA ' ' A' ' 41' ' ' LYS . 16.3 mt -82.45 -53.86 5.65 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.911 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 31.7 mtt -56.64 -29.93 62.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.861 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 68.2 mt-30 -78.16 -56.77 4.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.886 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -62.56 -17.63 60.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.893 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -51.69 167.05 0.11 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.81 -179.757 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 2.2 m -90.16 -25.51 5.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.149 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.449 ' HB3' HG12 ' A' ' 92' ' ' VAL . 21.8 mm-40 -93.48 128.15 39.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.88 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 16.2 m -71.63 -23.63 61.73 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.912 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.449 HG12 ' HB3' ' A' ' 90' ' ' GLU . 7.6 p -55.55 -24.76 16.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.121 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 11.3 m95 -74.09 -32.81 63.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.941 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -60.05 -38.43 82.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.875 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 17.6 mtm -72.63 -36.27 67.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -56.79 -42.81 80.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.02 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.799 ' CZ ' HD11 ' A' ' 101' ' ' LEU . 23.5 t80 -58.59 -48.94 79.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.911 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 44.5 t0 -61.67 -37.88 85.71 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.854 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 31.6 t80 -56.95 -48.32 78.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.452 ' HA ' HG22 ' A' ' 59' ' ' VAL . 10.9 mt -64.61 -40.26 88.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.088 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.799 HD11 ' CZ ' ' A' ' 97' ' ' PHE . 18.2 mt -66.91 -36.02 81.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.915 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -59.45 -24.62 63.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.918 179.844 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 15.3 m-80 -98.76 -41.94 7.44 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.966 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.414 HG21 ' HB2' ' A' ' 62' ' ' CYS . 79.9 t -72.42 -58.72 4.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.107 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.817 ' HA ' HD23 ' A' ' 108' ' ' LEU . 13.3 mm-40 -48.87 -28.79 4.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.946 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 4.7 t -71.99 -55.01 14.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.069 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.798 HG11 HG22 ' A' ' 63' ' ' THR . 5.3 p -66.45 -26.0 36.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.154 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.856 HD21 ' HA ' ' A' ' 115' ' ' THR . 0.1 OUTLIER -74.06 -38.76 63.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.894 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 109' ' ' GLN . . . . . 0.407 ' N ' ' HG ' ' A' ' 108' ' ' LEU . 17.9 mt-30 -66.44 -41.06 89.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 50.8 mt-30 -63.55 -15.84 59.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 51.7 m -95.65 -58.98 1.97 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.149 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 112' ' ' TYR . . . . . 0.757 ' CE2' HD11 ' A' ' 71' ' ' LEU . 7.5 m-85 -104.77 -43.0 5.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.943 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 110.43 -14.55 30.27 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.48 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 114' ' ' SER . . . . . 0.597 ' O ' HD11 ' A' ' 108' ' ' LEU . 0.8 OUTLIER -93.56 -174.51 3.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.002 0.429 . . . . 0.0 110.848 -179.78 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 115' ' ' THR . . . . . 0.856 ' HA ' HD21 ' A' ' 108' ' ' LEU . 76.4 p -152.62 178.94 9.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.102 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.697 HD11 ' HA ' ' A' ' 75' ' ' ASP . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 208' ' ' SER . . . . . . . . . . . . . 1.2 t . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.863 0.363 . . . . 0.0 110.946 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 209' ' ' PHE . . . . . 0.479 ' CD1' HD11 ' A' ' 47' ' ' ILE . 73.3 t80 -80.73 -34.35 34.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.875 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 210' ' ' PHE . . . . . . . . . . . . . 32.5 m-85 -70.03 -25.83 63.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.875 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 211' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -75.74 -47.22 26.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.854 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 212' ' ' LYS . . . . . . . . . . . . . 1.3 pttp -67.94 -26.42 65.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 213' ' ' LYS . . . . . . . . . . . . . 15.0 tppt? -79.51 -54.23 6.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.936 179.824 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 214' ' ' ARG . . . . . . . . . . . . . 30.9 ptt180 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 179.968 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 N--CA 1.466 -0.135 0 CA-C-O 120.861 0.275 . . . . 0.0 112.327 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -124.9 135.38 52.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.934 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.498 HD21 HD21 ' A' ' 40' ' ' LEU . 13.0 tp -103.6 112.36 25.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.934 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.628 ' HB2' ' HB3' ' B' ' 210' ' ' PHE . . . 56.46 26.14 10.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.134 179.771 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 95.04 13.03 54.37 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.559 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.599 ' HB2' HD11 ' A' ' 39' ' ' LEU . . . -107.43 116.73 32.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.889 0.375 . . . . 0.0 111.058 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 19.3 t -94.62 -34.16 5.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.11 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.748 ' O ' HG23 ' A' ' 36' ' ' VAL . 41.6 mt-10 -75.75 144.85 41.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 41.0 t80 -58.72 -53.17 61.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.892 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 79.9 p -51.95 -36.36 49.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.857 -179.822 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 43.5 t0 -74.42 -30.56 61.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.844 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.748 HG23 ' O ' ' A' ' 32' ' ' GLU . 95.0 t -71.58 -54.93 15.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.148 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.737 ' HA ' HD12 ' A' ' 40' ' ' LEU . 5.9 pttt -57.66 -31.03 65.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.897 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 55.1 m -65.63 -42.78 91.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.114 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.599 HD11 ' HB2' ' A' ' 30' ' ' ALA . 9.7 mt -68.13 -32.95 73.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.932 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.737 HD12 ' HA ' ' A' ' 37' ' ' LYS . 11.8 mt -72.23 -48.86 39.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.931 179.867 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.724 ' HA ' HD13 ' A' ' 84' ' ' LEU . 11.5 ttpt -52.68 -41.75 64.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.912 179.793 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.778 ' O ' HG22 ' A' ' 46' ' ' THR . 12.2 pt-20 -77.27 -41.86 39.32 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.906 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.525 ' HD1' HD13 ' A' ' 47' ' ' ILE . 33.4 t90 -63.94 -14.79 56.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.874 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.49 HG22 ' O ' ' A' ' 44' ' ' ILE . 33.8 mt -103.27 -9.86 9.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.089 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.576 HG23 ' O ' ' A' ' 41' ' ' LYS . 77.9 p -108.21 -56.05 2.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.16 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.778 HG22 ' O ' ' A' ' 42' ' ' GLU . 12.7 t -66.12 -17.74 64.9 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.183 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.589 HD11 ' CD1' ' B' ' 209' ' ' PHE . 3.2 mt -126.99 128.23 70.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.128 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 36.6 m -106.95 -28.1 10.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.809 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -111.8 79.99 2.78 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-O 121.571 0.7 . . . . 0.0 110.831 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 150.46 68.26 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.71 2.273 . . . . 0.0 112.351 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 49.4 mtm -101.82 156.91 17.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.843 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -51.79 -30.59 23.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.898 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -71.89 -48.32 46.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -58.22 -44.2 88.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.901 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 29.2 mt -71.81 -37.94 63.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.168 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.408 HD23 ' HA ' ' A' ' 56' ' ' LEU . 8.7 mt -58.3 -41.23 83.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.935 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 19.1 mm-40 -54.25 -31.37 53.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.9 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 13.1 t -72.77 -35.04 48.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.143 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.597 HG22 ' HA ' ' A' ' 100' ' ' ILE . 87.4 t -63.69 -51.49 69.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.082 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 24.5 mmm180 -60.06 -25.96 65.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.831 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.531 ' OH ' HG21 ' A' ' 36' ' ' VAL . 72.7 t80 -75.5 -52.27 11.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.93 -179.79 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 86.9 m -67.5 -45.45 75.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.859 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.534 HG22 HG11 ' A' ' 107' ' ' VAL . 42.0 p -56.23 -27.06 53.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.152 -179.832 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -73.56 -34.59 65.22 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.8 HD23 ' HB2' ' A' ' 74' ' ' LEU . 1.1 mp -58.57 -33.37 69.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.939 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.663 HD13 HG13 ' A' ' 107' ' ' VAL . 3.6 mt -65.24 -49.64 77.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.103 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -73.9 -23.91 59.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.954 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 45.8 mm-40 -90.68 -9.64 46.07 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.824 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 64.0 42.48 5.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 45.2 m-20 -116.25 36.31 4.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.869 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.536 HD11 ' CZ ' ' A' ' 112' ' ' TYR . 22.9 mt -57.05 -18.47 14.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.882 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 68.0 tt0 -50.24 -54.69 19.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.859 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.785 ' HE2' HD11 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -79.12 -22.76 44.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.874 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.8 ' HB2' HD23 ' A' ' 65' ' ' LEU . 44.6 tp -53.92 -55.99 21.85 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.95 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.31 -27.66 64.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.901 179.786 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.604 HD12 ' HA ' ' A' ' 73' ' ' LYS . 43.2 mt -76.72 -44.58 32.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.925 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.585 HG12 ' CE ' ' A' ' 81' ' ' MET . 92.8 t -69.92 -40.08 78.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.126 179.869 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.5 HD13 ' CE ' ' A' ' 81' ' ' MET . 30.5 mm -64.99 -54.14 33.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.053 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.451 ' HA ' ' HG2' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -63.63 -25.26 68.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.878 179.87 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.676 ' CE1' HD11 ' A' ' 84' ' ' LEU . 37.5 t80 -80.37 -43.77 20.55 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' MET . . . . . 0.585 ' CE ' HG12 ' A' ' 77' ' ' VAL . 14.3 ptp -74.22 -32.35 62.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.451 ' HG2' ' HA ' ' A' ' 79' ' ' LYS . 0.0 OUTLIER -70.82 -31.99 68.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.858 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 1.8 ptm180 -71.45 -28.54 64.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.876 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.724 HD13 ' HA ' ' A' ' 41' ' ' LYS . 17.0 mt -82.59 -53.96 5.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 22.1 mtt -57.54 -26.08 60.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 65.4 mt-30 -81.9 -42.07 20.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.867 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -83.81 1.96 40.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.888 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 95.9 p -62.44 -178.07 0.17 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.803 -179.737 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 3.1 p -99.78 -31.65 3.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.201 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.512 ' HB3' HG22 ' A' ' 92' ' ' VAL . 52.6 mm-40 -93.14 135.37 34.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.866 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.7 p -71.38 -24.71 62.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.89 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.512 HG22 ' HB3' ' A' ' 90' ' ' GLU . 19.1 m -58.93 -23.97 25.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.197 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 6.2 m95 -69.19 -35.44 76.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.932 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -56.88 -39.91 75.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.88 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 14.2 mtm -72.52 -34.61 67.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 179.834 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -53.56 -46.9 70.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.049 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.809 ' CZ ' HD11 ' A' ' 101' ' ' LEU . 21.4 t80 -59.52 -40.06 85.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.876 -179.885 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -67.01 -36.31 81.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.873 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 29.0 t80 -57.96 -47.83 81.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.904 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.597 ' HA ' HG22 ' A' ' 59' ' ' VAL . 6.9 mt -64.25 -39.71 86.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.142 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.809 HD11 ' CZ ' ' A' ' 97' ' ' PHE . 21.0 mt -68.87 -34.26 75.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.922 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -60.39 -28.77 68.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.872 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 38.3 m-80 -98.36 -36.89 9.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.513 HG23 ' O ' ' A' ' 100' ' ' ILE . 76.6 t -74.7 -60.03 2.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.184 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.835 ' HA ' HD23 ' A' ' 108' ' ' LEU . 17.1 mm-40 -49.24 -29.52 5.86 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.92 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 3.4 t -69.81 -53.74 22.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.155 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.663 HG13 HD13 ' A' ' 66' ' ' ILE . 7.1 p -68.62 -25.14 30.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.149 179.855 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.884 HD21 ' HA ' ' A' ' 115' ' ' THR . 0.1 OUTLIER -74.12 -39.37 63.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.88 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 109' ' ' GLN . . . . . 0.406 ' N ' ' HG ' ' A' ' 108' ' ' LEU . 15.3 mt-30 -66.1 -41.01 91.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.93 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 44.7 mt-30 -64.66 -14.67 59.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 72.8 m -95.39 -59.84 1.79 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.144 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 112' ' ' TYR . . . . . 0.536 ' CZ ' HD11 ' A' ' 71' ' ' LEU . 5.4 m-85 -104.43 -42.76 5.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 111.26 -14.33 28.18 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.523 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 114' ' ' SER . . . . . 0.594 ' O ' HD11 ' A' ' 108' ' ' LEU . 1.2 t -94.5 -172.53 2.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.943 0.401 . . . . 0.0 110.876 -179.827 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 115' ' ' THR . . . . . 0.884 ' HA ' HD21 ' A' ' 108' ' ' LEU . 72.4 p -152.51 178.93 9.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.186 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.935 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 208' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.889 0.376 . . . . 0.0 110.843 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 209' ' ' PHE . . . . . 0.589 ' CD1' HD11 ' A' ' 47' ' ' ILE . 73.4 t80 -67.58 -58.2 5.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.969 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 210' ' ' PHE . . . . . 0.628 ' HB3' ' HB2' ' A' ' 28' ' ' ALA . 64.7 m-85 -58.5 -25.22 62.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.931 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 211' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -75.77 -44.41 41.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.862 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 212' ' ' LYS . . . . . . . . . . . . . 21.0 ptmt -76.19 -22.66 55.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.86 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 213' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.94 -44.32 13.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.947 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 214' ' ' ARG . . . . . . . . . . . . . 18.0 ptp180 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.861 179.926 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo . . . . . 0 N--CA 1.465 -0.193 0 CA-C-O 120.828 0.262 . . . . 0.0 112.314 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.504 ' CG ' HG22 ' A' ' 31' ' ' VAL . 2.9 m-20 -125.71 143.71 50.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.943 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.471 HD21 HD21 ' A' ' 40' ' ' LEU . 11.6 tp -96.43 105.75 17.88 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.936 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.679 ' HB1' ' HB3' ' B' ' 214' ' ' ARG . . . 56.51 41.02 29.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.142 179.784 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 87.16 0.28 85.3 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.476 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.546 ' HB2' HD11 ' A' ' 39' ' ' LEU . . . -91.19 109.85 21.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.85 0.357 . . . . 0.0 111.119 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.504 HG22 ' CG ' ' A' ' 26' ' ' ASN . 23.3 t -92.11 -41.11 12.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.16 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.456 ' O ' HG23 ' A' ' 36' ' ' VAL . 50.5 mm-40 -70.72 133.91 47.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.92 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 46.9 t80 -52.12 -49.54 63.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.916 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.78 -37.68 52.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.812 -179.805 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -74.58 -29.62 61.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.879 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.456 HG23 ' O ' ' A' ' 32' ' ' GLU . 92.0 t -72.18 -55.32 13.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.136 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.5 ' HA ' HD12 ' A' ' 40' ' ' LEU . 6.7 pttt -57.87 -31.83 67.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.824 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 53.1 m -67.42 -39.4 85.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.17 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.546 HD11 ' HB2' ' A' ' 30' ' ' ALA . 14.4 mt -67.31 -37.81 83.95 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.936 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.5 HD12 ' HA ' ' A' ' 37' ' ' LYS . 8.9 mt -72.02 -44.94 62.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.726 ' HA ' HD13 ' A' ' 84' ' ' LEU . 8.2 ttpt -52.77 -43.65 65.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.955 179.769 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.786 ' O ' HG22 ' A' ' 46' ' ' THR . 13.8 pt-20 -77.37 -40.83 42.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.847 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.487 ' HD1' HD13 ' A' ' 47' ' ' ILE . 35.5 t90 -63.52 -15.06 56.87 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.898 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.455 HG22 ' O ' ' A' ' 44' ' ' ILE . 34.9 mt -102.52 -13.08 8.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.137 179.879 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.593 HG23 ' O ' ' A' ' 41' ' ' LYS . 76.5 p -103.81 -55.67 2.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.147 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.786 HG22 ' O ' ' A' ' 42' ' ' GLU . 13.2 t -68.07 -16.84 64.19 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.133 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.564 HD12 HG23 ' A' ' 46' ' ' THR . 3.2 mt -129.03 125.44 62.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.178 179.861 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -106.87 -26.07 11.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.857 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 89.7 m-20 -114.11 80.07 5.34 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.612 0.72 . . . . 0.0 110.813 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.83 158.31 57.29 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.648 2.232 . . . . 0.0 112.353 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 69.6 mtm -105.13 172.23 6.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.888 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.516 ' O ' HD23 ' A' ' 56' ' ' LEU . 6.9 tt0 -61.74 -62.0 2.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.867 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 13.6 mp0 -51.66 -30.58 22.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.882 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -68.68 -47.04 67.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.842 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 59.0 mt -71.64 -41.29 71.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.164 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.516 HD23 ' O ' ' A' ' 52' ' ' GLU . 4.0 mm? -52.33 -40.75 62.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.878 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -54.1 -32.57 55.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.972 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 13.8 t -73.31 -35.01 45.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.151 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.597 HG22 ' HA ' ' A' ' 100' ' ' ILE . 89.8 t -65.66 -51.24 64.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.167 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 13.3 mmt180 -58.77 -25.61 63.23 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.877 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 69.3 t80 -75.37 -52.0 11.8 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.957 -179.837 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 88.7 m -67.72 -46.25 72.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.883 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.584 HG23 HG22 ' A' ' 104' ' ' VAL . 36.8 p -55.74 -26.02 43.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.146 -179.848 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -73.61 -38.11 65.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.598 HD23 ' HB2' ' A' ' 74' ' ' LEU . 1.7 mp -54.83 -33.84 62.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.877 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.666 HD13 HG13 ' A' ' 107' ' ' VAL . 3.5 mt -63.42 -46.9 94.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.083 179.843 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 56.3 mm-40 -74.26 -32.41 62.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.877 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -83.42 -8.54 59.37 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.938 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 3.8 mmmm 64.15 39.88 7.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.891 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -113.11 36.59 3.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.82 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.448 HD11 ' CZ ' ' A' ' 112' ' ' TYR . 37.0 mt -53.83 -23.39 12.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.971 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -50.51 -48.51 57.02 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.901 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.736 ' HA ' HD12 ' A' ' 76' ' ' LEU . 7.0 mtpt -78.9 -22.79 45.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.914 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.598 ' HB2' HD23 ' A' ' 65' ' ' LEU . 28.2 tp -57.9 -59.92 4.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.919 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.65 ' HA ' HD21 ' A' ' 116' ' ' LEU . 1.1 t70 -54.98 -26.43 36.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.818 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.736 HD12 ' HA ' ' A' ' 73' ' ' LYS . 54.1 mt -76.9 -52.27 9.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.573 HG12 ' CE ' ' A' ' 81' ' ' MET . 89.5 t -65.7 -34.51 70.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.156 179.812 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.818 HG21 HD22 ' A' ' 116' ' ' LEU . 31.0 mm -70.27 -54.79 17.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.133 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.462 ' HA ' ' HG2' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -63.85 -25.14 68.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 179.848 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.677 ' CE1' HD11 ' A' ' 84' ' ' LEU . 38.0 t80 -81.0 -43.38 19.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.958 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' MET . . . . . 0.573 ' CE ' HG12 ' A' ' 77' ' ' VAL . 12.8 ptp -74.37 -32.01 62.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.909 179.84 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.462 ' HG2' ' HA ' ' A' ' 79' ' ' LYS . 0.0 OUTLIER -71.43 -32.21 68.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 2.3 ptm180 -70.77 -29.84 66.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.901 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.726 HD13 ' HA ' ' A' ' 41' ' ' LYS . 15.9 mt -82.15 -55.77 4.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.901 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 28.4 mtt -54.42 -26.61 31.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.94 179.806 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 59.1 mt-30 -79.1 -42.77 25.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.87 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -84.92 3.04 40.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.91 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.92 177.13 0.81 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.884 -179.768 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 3.4 p -95.71 -32.73 4.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.157 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.792 ' HB3' HG12 ' A' ' 92' ' ' VAL . 69.7 mm-40 -91.8 116.58 29.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.83 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.6 p -56.55 -25.02 50.86 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.872 -179.794 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.792 HG12 ' HB3' ' A' ' 90' ' ' GLU . 11.0 p -55.88 -29.07 25.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.157 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 5.6 m95 -62.95 -35.03 78.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.878 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 10.9 m120 -57.56 -42.3 82.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.917 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 15.7 mtm -72.56 -31.57 65.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.862 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -58.38 -44.48 88.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.092 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.78 ' CZ ' HD11 ' A' ' 101' ' ' LEU . 26.2 t80 -60.81 -43.93 97.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.92 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -62.48 -38.36 89.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.815 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 21.8 t80 -56.72 -48.5 77.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.597 ' HA ' HG22 ' A' ' 59' ' ' VAL . 7.8 mt -61.38 -42.26 93.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.101 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.78 HD11 ' CZ ' ' A' ' 97' ' ' PHE . 24.4 mt -67.96 -33.89 75.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.862 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -60.14 -29.34 68.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.917 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 16.8 m-80 -98.2 -36.82 9.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.834 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.584 HG22 HG23 ' A' ' 63' ' ' THR . 87.7 t -74.31 -60.31 2.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.189 179.865 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.834 ' HA ' HD23 ' A' ' 108' ' ' LEU . 17.7 mm-40 -49.28 -29.56 6.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.934 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 3.4 t -69.96 -53.1 25.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.162 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.666 HG13 HD13 ' A' ' 66' ' ' ILE . 7.7 p -68.97 -24.79 28.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.11 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.887 HD21 ' HA ' ' A' ' 115' ' ' THR . 0.1 OUTLIER -73.85 -39.17 64.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.925 179.964 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 109' ' ' GLN . . . . . 0.407 ' N ' ' HG ' ' A' ' 108' ' ' LEU . 27.8 mt-30 -65.61 -41.25 92.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.936 179.887 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 51.4 mt-30 -64.2 -15.06 59.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.922 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 65.9 m -95.5 -59.11 1.95 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.206 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 112' ' ' TYR . . . . . 0.448 ' CZ ' HD11 ' A' ' 71' ' ' LEU . 8.2 m-85 -105.06 -42.84 5.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.849 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 110.87 -14.54 29.1 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.529 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 114' ' ' SER . . . . . 0.6 ' O ' HD11 ' A' ' 108' ' ' LEU . 99.9 p -94.72 -172.78 2.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.949 0.404 . . . . 0.0 110.847 -179.727 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 115' ' ' THR . . . . . 0.887 ' HA ' HD21 ' A' ' 108' ' ' LEU . 69.1 p -152.42 -177.63 6.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.136 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.818 HD22 HG21 ' A' ' 78' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.909 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 208' ' ' SER . . . . . . . . . . . . . 10.8 p . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.921 0.391 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 209' ' ' PHE . . . . . 0.504 ' CD1' HD11 ' A' ' 47' ' ' ILE . 71.0 t80 -64.25 -49.15 73.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.889 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 210' ' ' PHE . . . . . . . . . . . . . 56.5 m-85 -59.95 -27.02 66.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.822 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 211' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -72.18 -44.99 62.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 212' ' ' LYS . . . . . . . . . . . . . 8.4 pttt -76.17 -20.43 57.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.869 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 213' ' ' LYS . . . . . . . . . . . . . 1.6 tppt? -88.73 -38.23 14.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.923 179.827 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 214' ' ' ARG . . . . . 0.679 ' HB3' ' HB1' ' A' ' 28' ' ' ALA . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.846 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 -0.059 0 CA-C-O 120.75 0.31 . . . . 0.0 111.089 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.574 ' HB1' ' HD2' ' A' ' 25' ' ' PRO . . . -120.07 159.93 45.15 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.62 0.724 . . . . 0.0 111.103 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.574 ' HD2' ' HB1' ' A' ' 24' ' ' ALA . 53.4 Cg_endo -69.77 86.23 0.59 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.671 2.247 . . . . 0.0 112.325 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.478 ' OD1' HG22 ' A' ' 31' ' ' VAL . 2.7 m-20 -124.43 141.14 52.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.828 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.453 HD22 HG13 ' A' ' 36' ' ' VAL . 2.5 tp -110.17 112.94 25.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.908 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.729 ' HB3' HD13 ' A' ' 39' ' ' LEU . . . 53.89 28.55 8.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.146 179.853 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 94.94 13.15 54.14 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.468 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.493 ' HB1' ' HB3' ' A' ' 35' ' ' ASP . . . -110.58 113.7 26.53 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.832 0.349 . . . . 0.0 111.062 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.478 HG22 ' OD1' ' A' ' 26' ' ' ASN . 18.4 t -91.48 -37.5 9.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.091 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.754 ' O ' HG23 ' A' ' 36' ' ' VAL . 37.4 mt-10 -71.37 143.37 50.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.876 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 37.5 t80 -58.84 -52.61 64.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.851 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.02 -37.0 42.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.89 -179.846 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.493 ' HB3' ' HB1' ' A' ' 30' ' ' ALA . 5.8 t0 -75.18 -31.51 60.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.884 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.754 HG23 ' O ' ' A' ' 32' ' ' GLU . 99.2 t -69.82 -57.41 8.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.052 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.723 ' HA ' HD12 ' A' ' 40' ' ' LEU . 6.5 pttt -55.13 -31.14 61.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.914 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 52.1 m -68.13 -38.76 82.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.09 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.729 HD13 ' HB3' ' A' ' 28' ' ' ALA . 67.0 mt -70.1 -35.29 74.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.723 HD12 ' HA ' ' A' ' 37' ' ' LYS . 6.4 mt -71.98 -47.27 53.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.938 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.654 ' HA ' HD13 ' A' ' 84' ' ' LEU . 7.8 ttpt -52.82 -44.37 66.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.871 179.795 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.788 ' O ' HG22 ' A' ' 46' ' ' THR . 11.9 pt-20 -75.91 -42.01 50.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.845 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.487 ' HD1' HD13 ' A' ' 47' ' ' ILE . 35.1 t90 -63.52 -14.82 54.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.418 HG22 ' O ' ' A' ' 44' ' ' ILE . 40.7 mt -102.33 -16.09 7.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.14 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.616 HG23 ' O ' ' A' ' 41' ' ' LYS . 74.1 p -100.04 -55.71 2.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.154 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.788 HG22 ' O ' ' A' ' 42' ' ' GLU . 13.2 t -66.32 -16.63 64.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.146 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.498 ' CD1' HG23 ' A' ' 46' ' ' THR . 3.3 mt -128.92 127.95 66.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.123 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 44.6 m -106.87 -24.32 12.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.833 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -113.86 79.13 4.41 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.609 0.719 . . . . 0.0 110.884 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 151.73 69.14 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.681 2.254 . . . . 0.0 112.326 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 74.6 mtm -101.32 163.85 12.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 45.7 tt0 -62.25 -34.97 77.54 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.877 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -66.62 -47.81 71.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.886 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -61.58 -47.56 84.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.893 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 48.8 mt -64.47 -30.41 50.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.108 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.9 mt -64.74 -38.21 90.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.915 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 5.5 mm-40 -54.01 -30.93 49.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.925 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 15.0 t -71.34 -34.87 55.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.116 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.512 HG22 ' HA ' ' A' ' 100' ' ' ILE . 98.0 t -64.46 -50.36 76.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.135 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 26.0 mmm180 -59.59 -26.83 65.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.904 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 72.5 t80 -75.5 -53.62 8.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.869 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' CYS . . . . . 0.417 ' HB2' HG21 ' A' ' 104' ' ' VAL . 21.2 m -65.11 -43.28 92.52 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.861 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.748 HG22 HG11 ' A' ' 107' ' ' VAL . 38.0 p -58.05 -28.32 64.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.159 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -74.02 -36.88 64.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.634 HD23 ' HB2' ' A' ' 74' ' ' LEU . 2.1 mp -54.02 -32.67 55.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.899 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.613 HD13 HG13 ' A' ' 107' ' ' VAL . 5.4 mt -64.85 -47.66 87.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.136 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -73.79 -34.23 64.55 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.859 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -81.83 -9.5 59.59 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.907 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 4.6 mmtm 63.76 39.92 8.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.915 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 53.6 m-20 -110.57 35.37 3.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 18.0 mt -53.27 -25.33 14.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.962 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -50.51 -46.62 57.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.923 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.788 ' HA ' HD12 ' A' ' 76' ' ' LEU . 5.8 mtpt -79.06 -22.92 44.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.89 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.634 ' HB2' HD23 ' A' ' 65' ' ' LEU . 22.5 tp -57.77 -62.18 1.98 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -54.58 -26.5 32.75 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.831 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.788 HD12 ' HA ' ' A' ' 73' ' ' LYS . 50.4 mt -76.97 -44.04 32.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.887 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.578 HG12 ' CE ' ' A' ' 81' ' ' MET . 85.2 t -71.29 -42.05 74.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.103 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.821 HG21 HD22 ' A' ' 116' ' ' LEU . 39.2 mm -59.08 -57.22 12.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.111 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.09 -34.27 75.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.892 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.63 ' CE1' HD11 ' A' ' 84' ' ' LEU . 56.5 t80 -66.13 -53.54 36.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.872 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.578 ' CE ' HG12 ' A' ' 77' ' ' VAL . 12.4 ptp -65.84 -27.42 68.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.873 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.89 -57.61 11.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.926 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 12.2 ptt180 -53.64 -26.84 23.98 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.873 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.654 HD13 ' HA ' ' A' ' 41' ' ' LYS . 31.4 mt -81.44 -54.09 5.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.879 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 27.5 mtt -61.03 -27.83 68.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.872 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 22.6 mm-40 -80.17 -50.0 10.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.963 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -69.17 -19.3 64.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.928 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 10.0 m -52.11 149.03 5.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.856 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 3.2 p -71.07 -32.07 46.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.16 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.66 ' HB3' HG22 ' A' ' 92' ' ' VAL . 3.0 mm-40 -85.26 125.63 33.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.916 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 9.7 p -71.53 -23.62 61.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.852 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.66 HG22 ' HB3' ' A' ' 90' ' ' GLU . 29.5 m -56.39 -24.29 18.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.162 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 24.4 m95 -65.36 -35.88 82.33 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.928 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -56.11 -39.94 72.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.908 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 23.0 mtm -70.8 -40.1 72.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -53.03 -40.83 64.2 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.096 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.665 ' CZ ' HD11 ' A' ' 101' ' ' LEU . 40.2 t80 -59.35 -47.82 83.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.891 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -64.57 -35.83 82.24 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.86 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 26.9 t80 -58.86 -44.14 90.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.895 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.512 ' HA ' HG22 ' A' ' 59' ' ' VAL . 11.6 mt -69.21 -39.36 79.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.12 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.665 HD11 ' CZ ' ' A' ' 97' ' ' PHE . 25.7 mt -68.51 -34.75 76.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.931 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -59.82 -26.79 66.06 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.821 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 28.3 m-80 -97.82 -40.41 8.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.417 HG21 ' HB2' ' A' ' 62' ' ' CYS . 76.3 t -71.85 -58.9 4.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.223 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.825 ' HA ' HD23 ' A' ' 108' ' ' LEU . 14.4 mm-40 -49.2 -29.24 5.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.933 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 5.3 t -71.38 -56.15 11.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.174 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.748 HG11 HG22 ' A' ' 63' ' ' THR . 5.8 p -65.01 -26.06 39.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.131 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.864 HD21 ' HA ' ' A' ' 115' ' ' THR . 0.1 OUTLIER -74.21 -38.55 63.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.951 179.874 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 15.5 mt-30 -67.1 -41.3 86.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.926 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 53.5 mt-30 -63.78 -14.91 56.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.866 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 60.5 m -95.81 -60.6 1.61 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.12 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' TYR . . . . . 0.49 ' CE1' HG23 ' A' ' 66' ' ' ILE . 11.3 m-85 -102.66 -42.7 5.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.948 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 111.58 -14.54 27.33 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.486 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.595 ' O ' HD11 ' A' ' 108' ' ' LEU . 36.3 m -93.33 -175.77 3.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.968 0.413 . . . . 0.0 110.837 -179.757 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 115' ' ' THR . . . . . 0.864 ' HA ' HD21 ' A' ' 108' ' ' LEU . 70.8 p -152.68 -178.03 6.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.159 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.821 HD22 HG21 ' A' ' 78' ' ' ILE . 0.1 OUTLIER -94.12 147.14 23.44 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.903 179.943 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -96.13 102.52 14.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.852 179.804 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 4.8 m -117.79 111.12 33.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.178 179.793 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 9.1 t . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.15 -179.951 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 207' ' ' LYS . . . . . . . . . . . . . 11.5 tptm . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.739 0.304 . . . . 0.0 110.949 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 208' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -177.05 139.5 0.28 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.835 -179.816 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 209' ' ' PHE . . . . . 0.45 ' CD1' HD11 ' A' ' 47' ' ' ILE . 81.6 t80 -53.98 -40.98 67.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.896 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 210' ' ' PHE . . . . . 0.441 ' CD1' ' HB2' ' A' ' 28' ' ' ALA . 18.4 m-85 -65.05 -26.55 68.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.849 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 211' ' ' ASP . . . . . . . . . . . . . 42.3 t0 -75.3 -46.71 31.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.906 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 212' ' ' LYS . . . . . . . . . . . . . 10.4 pttt -72.17 -24.89 61.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.885 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 213' ' ' LYS . . . . . . . . . . . . . 4.7 tppt? -82.96 -45.25 14.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.908 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 214' ' ' ARG . . . . . . . . . . . . . 43.4 ptt85 -64.74 -32.51 74.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.856 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 215' ' ' SER . . . . . . . . . . . . . 2.4 t -76.96 -25.93 53.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.88 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 216' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -64.37 -44.82 90.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.853 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 217' ' ' ARG . . . . . . . . . . . . . 12.1 ptm180 -72.15 -39.16 68.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.848 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 218' ' ' ILE . . . . . . . . . . . . . 49.1 mt -68.97 -36.07 72.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.106 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 219' ' ' SER . . . . . . . . . . . . . 28.8 t -80.5 161.86 24.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.828 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 220' ' ' ASN . . . . . . . . . . . . . 3.5 t30 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.948 -179.942 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.81 0.338 . . . . 0.0 111.066 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.579 ' HB1' ' HD2' ' A' ' 25' ' ' PRO . . . -120.34 160.12 44.94 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.619 0.723 . . . . 0.0 111.025 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.579 ' HD2' ' HB1' ' A' ' 24' ' ' ALA . 54.3 Cg_endo -69.77 85.06 0.63 Allowed 'Trans proline' 0 N--CA 1.465 -0.188 0 C-N-CA 122.628 2.219 . . . . 0.0 112.375 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.49 ' OD1' HG22 ' A' ' 31' ' ' VAL . 5.6 m-20 -119.18 135.28 54.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.875 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.504 HD21 HD21 ' A' ' 40' ' ' LEU . 8.5 tp -110.38 113.68 26.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.906 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.458 ' HB2' ' HB3' ' B' ' 210' ' ' PHE . . . 55.98 25.91 9.32 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.052 179.756 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 95.1 13.1 53.92 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.528 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.562 ' HB2' HD11 ' A' ' 39' ' ' LEU . . . -107.73 113.87 27.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.842 0.353 . . . . 0.0 111.106 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.49 HG22 ' OD1' ' A' ' 26' ' ' ASN . 22.4 t -93.27 -30.01 4.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.117 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.755 ' O ' HG23 ' A' ' 36' ' ' VAL . 63.5 mt-10 -77.56 142.41 39.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.852 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 37.3 t80 -57.79 -52.91 63.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.869 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.6 p -51.68 -36.6 47.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.859 -179.794 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 61.3 m-20 -75.38 -30.5 60.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.863 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.755 HG23 ' O ' ' A' ' 32' ' ' GLU . 96.5 t -70.26 -57.2 8.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.113 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.759 ' HA ' HD12 ' A' ' 40' ' ' LEU . 5.2 pttt -55.38 -30.57 60.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.924 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 51.7 m -65.92 -45.95 80.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.128 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.562 HD11 ' HB2' ' A' ' 30' ' ' ALA . 8.7 mt -64.82 -32.87 74.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.926 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.759 HD12 ' HA ' ' A' ' 37' ' ' LYS . 11.8 mt -72.06 -48.92 40.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.912 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.668 ' HA ' HD13 ' A' ' 84' ' ' LEU . 0.1 OUTLIER -52.77 -41.71 64.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.904 179.782 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.777 ' O ' HG22 ' A' ' 46' ' ' THR . 23.9 pt-20 -77.35 -41.98 38.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.858 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.507 ' HD1' HD13 ' A' ' 47' ' ' ILE . 35.3 t90 -64.04 -14.83 57.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.888 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.465 HG22 ' O ' ' A' ' 44' ' ' ILE . 34.8 mt -102.51 -12.38 8.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.125 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.574 HG23 ' O ' ' A' ' 41' ' ' LYS . 74.1 p -104.93 -55.48 2.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.126 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.777 HG22 ' O ' ' A' ' 42' ' ' GLU . 12.7 t -67.86 -17.46 64.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.217 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.507 HD13 ' HD1' ' A' ' 43' ' ' TRP . 3.4 mt -127.95 127.24 67.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.183 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -106.87 -25.39 11.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.897 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -115.07 80.33 6.91 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.715 0.769 . . . . 0.0 110.878 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 157.8 59.09 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.669 2.246 . . . . 0.0 112.316 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 32.9 mtm -106.25 160.18 15.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.885 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -56.22 -34.16 66.05 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.944 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 -66.68 -51.51 55.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.891 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -57.06 -49.15 76.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.9 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 60.8 mt -62.91 -31.83 53.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.106 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' A' ' 56' ' ' LEU . 10.4 mt -64.65 -40.08 94.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.905 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 43.5 mt-30 -54.03 -29.97 45.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.865 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 14.3 t -72.98 -34.78 46.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.141 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.52 HG22 ' HA ' ' A' ' 100' ' ' ILE . 94.1 t -64.69 -46.87 91.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.093 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -62.14 -32.41 73.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.861 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.401 ' CZ ' HG11 ' A' ' 36' ' ' VAL . 43.2 t80 -71.29 -48.92 47.83 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.875 -179.864 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' CYS . . . . . 0.409 ' HB2' HG21 ' A' ' 104' ' ' VAL . 15.3 m -67.88 -44.93 75.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.839 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.768 HG22 HG11 ' A' ' 107' ' ' VAL . 40.2 p -59.64 -25.09 64.4 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.158 -179.774 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -74.07 -36.7 64.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.919 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.654 HD23 ' HB2' ' A' ' 74' ' ' LEU . 1.3 mp -54.18 -38.05 65.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.913 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.61 HD13 HG13 ' A' ' 107' ' ' VAL . 5.7 mt -61.39 -45.21 99.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.097 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 35.2 mm-40 -73.7 -36.62 65.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.885 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -83.44 -0.67 51.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.868 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 55.56 40.78 31.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.906 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -112.07 32.97 5.12 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.815 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.649 HD11 ' CE2' ' A' ' 112' ' ' TYR . 31.0 mt -51.95 -24.41 6.43 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.964 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -49.93 -45.49 51.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.941 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.723 ' HA ' HD12 ' A' ' 76' ' ' LEU . 4.6 mttt -79.41 -24.47 42.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.877 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.654 ' HB2' HD23 ' A' ' 65' ' ' LEU . 32.2 tp -55.44 -60.73 3.01 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.889 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -54.16 -27.04 31.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.849 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.723 HD12 ' HA ' ' A' ' 73' ' ' LYS . 53.9 mt -76.87 -46.83 23.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.921 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.569 HG12 ' CE ' ' A' ' 81' ' ' MET . 90.6 t -68.86 -38.94 79.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.126 179.864 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.971 HG21 HD22 ' A' ' 116' ' ' LEU . 34.9 mm -63.2 -57.79 10.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.156 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.46 -32.25 72.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.874 179.85 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.591 ' CE1' HD11 ' A' ' 84' ' ' LEU . 53.7 t80 -67.03 -55.89 12.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.868 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.569 ' CE ' HG12 ' A' ' 77' ' ' VAL . 12.3 ptp -63.93 -27.36 69.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.842 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.39 -57.48 12.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.878 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 3.4 ptm180 -53.85 -26.18 23.23 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.86 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.668 HD13 ' HA ' ' A' ' 41' ' ' LYS . 52.6 mt -81.92 -53.23 6.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 20.2 mtt -62.8 -25.93 68.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.891 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 20.6 mm-40 -83.32 -46.0 13.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.851 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -74.99 -7.85 54.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.93 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 96.6 p -57.57 -178.44 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.813 -179.775 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.4 HG13 ' HG2' ' A' ' 90' ' ' GLU . 2.7 p -104.36 -31.67 2.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.135 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.658 ' HB3' HG22 ' A' ' 92' ' ' VAL . 7.2 mm-40 -90.35 120.9 31.87 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.939 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.1 t -61.84 -19.33 62.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.807 -179.739 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.658 HG22 ' HB3' ' A' ' 90' ' ' GLU . 26.4 m -60.77 -31.48 49.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.132 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 10.7 m95 -59.83 -38.79 83.02 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.888 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -56.55 -35.47 68.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.903 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 22.0 mtm -72.49 -40.9 66.53 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.88 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -52.95 -39.97 63.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.073 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.667 ' CZ ' HD11 ' A' ' 101' ' ' LEU . 40.8 t80 -59.99 -48.29 82.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.898 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -63.32 -37.14 86.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.894 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 21.9 t80 -59.01 -46.89 87.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.953 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.52 ' HA ' HG22 ' A' ' 59' ' ' VAL . 16.7 mt -65.66 -38.31 82.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.103 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.667 HD11 ' CZ ' ' A' ' 97' ' ' PHE . 24.2 mt -70.33 -33.68 71.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.899 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -60.07 -26.69 66.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.823 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -97.95 -39.66 8.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.926 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.43 HG23 ' O ' ' A' ' 100' ' ' ILE . 80.0 t -72.62 -58.74 4.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.129 179.859 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.818 ' HA ' HD23 ' A' ' 108' ' ' LEU . 12.8 mm-40 -49.02 -29.25 4.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 7.4 t -71.43 -55.95 12.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.151 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.768 HG11 HG22 ' A' ' 63' ' ' THR . 5.9 p -65.17 -26.37 39.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.167 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.883 HD21 ' HA ' ' A' ' 115' ' ' THR . 0.1 OUTLIER -74.28 -38.64 63.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.879 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -67.09 -40.66 86.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.937 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 56.0 mt-30 -64.07 -15.1 58.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.883 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 52.7 m -95.7 -60.73 1.59 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.136 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' TYR . . . . . 0.649 ' CE2' HD11 ' A' ' 71' ' ' LEU . 6.3 m-85 -102.54 -42.47 5.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.994 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 111.41 -14.51 27.76 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.678 -0.773 . . . . 0.0 112.42 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.577 ' O ' HD11 ' A' ' 108' ' ' LEU . 0.8 OUTLIER -93.01 -176.33 4.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.012 0.434 . . . . 0.0 110.79 -179.666 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 115' ' ' THR . . . . . 0.883 ' HA ' HD21 ' A' ' 108' ' ' LEU . 75.0 p -152.53 176.75 11.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.165 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.971 HD22 HG21 ' A' ' 78' ' ' ILE . 0.1 OUTLIER -91.99 138.57 31.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.859 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.67 98.44 6.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.924 179.786 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 3.7 m -118.32 93.06 2.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.127 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.15 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 207' ' ' LYS . . . . . . . . . . . . . 19.7 ttpt . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.726 0.298 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 208' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -179.35 157.81 0.82 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.833 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 209' ' ' PHE . . . . . 0.492 ' CD1' HD11 ' A' ' 47' ' ' ILE . 61.4 t80 -65.25 -58.62 5.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.921 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 210' ' ' PHE . . . . . 0.458 ' HB3' ' HB2' ' A' ' 28' ' ' ALA . 30.9 m-85 -57.37 -24.62 56.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.885 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 211' ' ' ASP . . . . . . . . . . . . . 66.0 m-20 -76.51 -44.26 35.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.825 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 212' ' ' LYS . . . . . . . . . . . . . 16.0 ptmt -77.43 -18.98 56.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 213' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.79 -46.31 9.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.845 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 214' ' ' ARG . . . . . . . . . . . . . 15.2 ptt180 -55.44 -28.16 52.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.831 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 215' ' ' SER . . . . . . . . . . . . . 4.8 t -70.12 -26.22 63.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.848 -179.754 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 216' ' ' GLU . . . . . . . . . . . . . 33.4 mm-40 -61.12 -56.48 20.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.846 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 217' ' ' ARG . . . . . . . . . . . . . 12.3 ptm180 -63.71 -41.27 98.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.885 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 218' ' ' ILE . . . . . . . . . . . . . 48.2 mt -65.69 -25.34 36.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.139 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 219' ' ' SER . . . . . . . . . . . . . 30.9 t -91.78 -26.32 18.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.904 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 220' ' ' ASN . . . . . . . . . . . . . 5.0 t30 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.839 -179.968 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.831 0.348 . . . . 0.0 111.125 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.584 ' HB1' ' HD2' ' A' ' 25' ' ' PRO . . . -105.37 160.2 26.84 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.633 0.73 . . . . 0.0 111.086 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.584 ' HD2' ' HB1' ' A' ' 24' ' ' ALA . 52.6 Cg_endo -69.8 91.17 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.654 2.236 . . . . 0.0 112.298 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.496 ' OD1' HG22 ' A' ' 31' ' ' VAL . 2.7 m-20 -126.2 135.24 51.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.878 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.541 HD21 HD21 ' A' ' 40' ' ' LEU . 9.1 tp -106.44 110.88 23.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.922 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 55.32 28.19 11.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.146 179.789 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 95.04 12.79 54.74 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.477 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.472 ' HB2' HD11 ' A' ' 39' ' ' LEU . . . -108.22 110.76 22.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.815 0.341 . . . . 0.0 111.065 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.496 HG22 ' OD1' ' A' ' 26' ' ' ASN . 21.3 t -91.89 -25.52 5.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.104 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.708 ' O ' HG23 ' A' ' 36' ' ' VAL . 22.7 mt-10 -82.83 140.4 32.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.832 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 44.8 t80 -55.96 -53.67 54.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.871 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.49 -36.45 44.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.926 -179.806 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 47.8 t0 -75.06 -31.49 61.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.881 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.708 HG23 ' O ' ' A' ' 32' ' ' GLU . 97.2 t -69.72 -56.77 10.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.108 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.789 ' HA ' HD12 ' A' ' 40' ' ' LEU . 6.6 pttt -55.5 -31.81 62.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.903 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 54.6 m -64.81 -45.54 85.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.182 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.472 HD11 ' HB2' ' A' ' 30' ' ' ALA . 13.8 mt -64.85 -32.69 74.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.919 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.789 HD12 ' HA ' ' A' ' 37' ' ' LYS . 10.3 mt -72.56 -49.98 28.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.935 179.822 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.645 ' HA ' HD13 ' A' ' 84' ' ' LEU . 0.4 OUTLIER -52.62 -40.82 63.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.872 179.865 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.787 ' O ' HG22 ' A' ' 46' ' ' THR . 26.5 pt-20 -77.14 -36.78 55.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.889 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.556 ' HD1' HD13 ' A' ' 47' ' ' ILE . 29.5 t90 -70.36 -15.1 62.82 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.973 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.639 HG22 ' O ' ' A' ' 44' ' ' ILE . 19.3 mt -106.16 6.38 10.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.149 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.516 HG23 ' O ' ' A' ' 41' ' ' LYS . 44.6 p -122.35 -54.81 1.87 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.187 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.787 HG22 ' O ' ' A' ' 42' ' ' GLU . 13.5 t -74.47 -6.92 51.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.2 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.556 HD13 ' HD1' ' A' ' 43' ' ' TRP . 3.2 mt -136.74 128.65 43.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.096 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.3 p -106.85 -25.36 11.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.828 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -112.25 78.44 2.5 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.593 0.711 . . . . 0.0 110.909 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 137.24 34.96 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.645 2.23 . . . . 0.0 112.348 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 10.9 ttm -86.65 156.54 19.96 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.823 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.452 ' O ' HD23 ' A' ' 56' ' ' LEU . 7.1 tt0 -57.13 -50.36 73.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.926 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 28.2 tp10 -51.79 -33.55 35.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.934 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -75.24 -39.72 59.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.818 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 60.1 mt -68.18 -44.4 84.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.168 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.452 HD23 ' O ' ' A' ' 52' ' ' GLU . 4.2 mm? -51.65 -38.51 55.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -54.24 -31.8 54.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.932 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 13.2 t -73.22 -34.51 44.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.139 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.441 ' O ' HG23 ' A' ' 63' ' ' THR . 98.8 t -66.3 -49.92 72.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.097 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 19.1 mmt180 -59.63 -27.28 66.19 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.814 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 72.6 t80 -74.94 -53.9 8.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.956 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' CYS . . . . . 0.424 ' HB2' HG21 ' A' ' 104' ' ' VAL . 19.5 m -64.77 -43.45 93.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.899 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.743 HG22 HG11 ' A' ' 107' ' ' VAL . 40.6 p -58.83 -27.27 64.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.159 -179.856 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -74.05 -36.41 64.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.85 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.634 HD23 ' HB2' ' A' ' 74' ' ' LEU . 1.7 mp -54.17 -36.92 63.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.926 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.6 HD13 HG13 ' A' ' 107' ' ' VAL . 5.6 mt -60.8 -47.32 93.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.131 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -73.83 -33.26 64.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.935 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -84.58 -1.87 56.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.852 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 4.3 mmmm 56.61 41.17 28.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -112.2 32.77 5.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.86 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.596 HD21 ' HA ' ' A' ' 66' ' ' ILE . 20.4 mt -53.14 -23.92 9.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.922 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -50.5 -47.14 57.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.856 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.726 ' HA ' HD12 ' A' ' 76' ' ' LEU . 0.6 OUTLIER -78.8 -23.42 45.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.634 ' HB2' HD23 ' A' ' 65' ' ' LEU . 22.7 tp -55.78 -61.87 2.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.921 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.46 ' OD1' HD21 ' A' ' 116' ' ' LEU . 1.1 m-20 -53.74 -27.24 27.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.869 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.726 HD12 ' HA ' ' A' ' 73' ' ' LYS . 52.5 mt -76.5 -45.42 31.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.98 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.501 HG12 ' CE ' ' A' ' 81' ' ' MET . 90.5 t -69.76 -39.29 77.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.107 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.43 ' HA ' ' HE3' ' A' ' 81' ' ' MET . 37.6 mm -63.09 -57.52 11.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.176 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.22 -33.07 72.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.858 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.615 ' CE1' HD11 ' A' ' 84' ' ' LEU . 55.1 t80 -66.35 -56.31 11.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.923 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.501 ' CE ' HG12 ' A' ' 77' ' ' VAL . 12.3 ptp -63.39 -27.18 69.13 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.942 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.89 -57.39 12.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.914 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 2.9 ptm180 -54.5 -26.16 29.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.84 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.645 HD13 ' HA ' ' A' ' 41' ' ' LYS . 58.2 mt -81.38 -54.38 5.52 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.901 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 25.8 mtt -61.74 -28.46 69.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.92 179.827 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 22.4 mm-40 -79.07 -47.49 16.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -72.18 -17.98 61.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.918 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 3.6 m -51.98 153.59 2.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.8 -179.777 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 3.8 p -76.28 -32.74 22.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.164 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.675 ' HB3' HG12 ' A' ' 92' ' ' VAL . 2.1 mm-40 -86.07 129.53 34.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.92 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 52.0 p -71.47 -25.93 62.5 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.868 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.675 HG12 ' HB3' ' A' ' 90' ' ' GLU . 11.3 p -54.82 -27.32 18.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.167 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 19.4 m95 -63.77 -37.76 88.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.912 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 8.3 m-80 -59.17 -35.29 73.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.912 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 21.3 mtm -72.33 -41.26 66.7 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.928 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -53.1 -40.04 63.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.11 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.66 ' CZ ' HD11 ' A' ' 101' ' ' LEU . 38.8 t80 -58.58 -51.4 70.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.866 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -61.14 -38.3 85.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 25.8 t80 -57.77 -47.76 81.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.902 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.422 ' HA ' HG22 ' A' ' 59' ' ' VAL . 19.5 mt -65.22 -39.97 87.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.104 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.66 HD11 ' CZ ' ' A' ' 97' ' ' PHE . 22.7 mt -67.84 -34.91 77.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.879 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -59.56 -25.4 64.53 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 29.3 m-80 -97.98 -42.04 7.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.84 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.424 HG21 ' HB2' ' A' ' 62' ' ' CYS . 74.8 t -71.14 -58.4 5.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.091 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.818 ' HA ' HD23 ' A' ' 108' ' ' LEU . 15.9 mm-40 -49.19 -29.15 5.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.938 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 5.9 t -71.69 -55.67 12.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.177 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.743 HG11 HG22 ' A' ' 63' ' ' THR . 5.2 p -65.47 -26.5 39.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.065 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.864 HD21 ' HA ' ' A' ' 115' ' ' THR . 0.1 OUTLIER -74.27 -38.57 63.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 179.95 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 109' ' ' GLN . . . . . 0.402 ' N ' ' HG ' ' A' ' 108' ' ' LEU . 26.1 mt-30 -67.54 -41.21 84.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.936 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 -64.04 -14.79 56.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.92 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 71.4 m -95.55 -60.85 1.57 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.164 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' TYR . . . . . 0.534 ' CE1' HD11 ' A' ' 71' ' ' LEU . 11.3 m-85 -102.17 -42.6 6.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.924 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 111.86 -14.39 26.69 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.528 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.585 ' O ' HD11 ' A' ' 108' ' ' LEU . 1.2 t -93.98 -174.72 3.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.956 0.408 . . . . 0.0 110.838 -179.74 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 115' ' ' THR . . . . . 0.864 ' HA ' HD21 ' A' ' 108' ' ' LEU . 74.9 p -152.64 -179.5 7.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.217 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.46 HD21 ' OD1' ' A' ' 75' ' ' ASP . 0.2 OUTLIER -86.58 155.71 20.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.855 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.17 98.94 9.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 179.837 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.407 HG23 ' O ' ' A' ' 118' ' ' VAL . 6.0 m -117.81 107.06 21.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.147 179.85 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 25.8 m . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.075 -179.923 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 207' ' ' LYS . . . . . . . . . . . . . 28.0 tttp . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.887 0.375 . . . . 0.0 110.836 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 208' ' ' SER . . . . . . . . . . . . . 1.1 p -172.71 150.59 2.17 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.84 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 209' ' ' PHE . . . . . . . . . . . . . 42.1 t80 -67.48 -37.95 83.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.912 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 210' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -65.93 -24.54 66.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.891 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 211' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -75.16 -41.02 59.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 212' ' ' LYS . . . . . . . . . . . . . 11.8 ptmt -77.73 -18.55 56.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.931 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 213' ' ' LYS . . . . . . . . . . . . . 2.0 tmtt? -88.0 -41.23 13.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.906 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 214' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.81 -30.13 71.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.815 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 215' ' ' SER . . . . . 0.533 ' HA ' HD12 ' B' ' 218' ' ' ILE . 15.9 m -60.9 -61.96 2.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.842 -179.78 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 216' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -54.41 -36.64 64.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.885 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 217' ' ' ARG . . . . . . . . . . . . . 43.4 ttm-85 -61.21 -35.39 77.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.865 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 218' ' ' ILE . . . . . 0.533 HD12 ' HA ' ' B' ' 215' ' ' SER . 10.7 mt -71.57 -23.82 22.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.077 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 219' ' ' SER . . . . . . . . . . . . . 8.5 t -94.64 -174.19 3.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.942 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 220' ' ' ASN . . . . . . . . . . . . . 29.2 t30 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.865 -179.975 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.747 0.308 . . . . 0.0 111.103 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.593 ' HB1' ' HD2' ' A' ' 25' ' ' PRO . . . -102.91 160.37 26.42 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.592 0.71 . . . . 0.0 111.101 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.593 ' HD2' ' HB1' ' A' ' 24' ' ' ALA . 53.8 Cg_endo -69.8 96.54 0.6 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.748 2.299 . . . . 0.0 112.341 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.407 ' OD1' HG22 ' A' ' 31' ' ' VAL . 2.5 m-20 -125.27 139.36 53.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.92 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.424 HD22 HG13 ' A' ' 36' ' ' VAL . 10.6 tp -105.72 113.56 27.2 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.936 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 55.37 27.57 10.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.038 179.806 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 94.42 12.99 55.35 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.519 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.557 ' HB2' HD11 ' A' ' 39' ' ' LEU . . . -105.5 111.89 24.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.743 0.306 . . . . 0.0 111.101 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.407 HG22 ' OD1' ' A' ' 26' ' ' ASN . 37.4 t -91.03 -32.18 5.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.13 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.523 ' O ' HG23 ' A' ' 36' ' ' VAL . 8.7 mt-10 -80.26 137.74 36.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.949 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 41.7 t80 -53.35 -50.89 64.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -51.99 -37.02 51.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.864 -179.795 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 80.7 m-20 -74.41 -29.88 61.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.901 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.565 HG21 ' OH ' ' A' ' 61' ' ' TYR . 96.3 t -71.51 -56.07 11.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.068 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.671 ' HA ' HD12 ' A' ' 40' ' ' LEU . 5.7 pttt -57.14 -30.37 64.37 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 57.5 m -69.5 -37.71 77.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.134 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.557 HD11 ' HB2' ' A' ' 30' ' ' ALA . 21.0 mt -70.2 -36.05 74.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.927 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.671 HD12 ' HA ' ' A' ' 37' ' ' LYS . 5.7 mt -72.22 -45.94 58.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.874 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.647 ' HA ' HD13 ' A' ' 84' ' ' LEU . 10.8 ttpt -53.24 -42.7 66.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.872 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.783 ' O ' HG22 ' A' ' 46' ' ' THR . 13.0 pt-20 -77.22 -42.26 38.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.833 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.503 ' HD1' HD13 ' A' ' 47' ' ' ILE . 35.6 t90 -63.65 -14.56 53.01 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.863 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.426 HG22 ' O ' ' A' ' 44' ' ' ILE . 45.1 mt -102.57 -15.26 7.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.048 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.591 HG23 ' O ' ' A' ' 41' ' ' LYS . 74.4 p -101.41 -55.89 2.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.128 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.783 HG22 ' O ' ' A' ' 42' ' ' GLU . 12.9 t -66.27 -16.41 64.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.138 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.627 HD11 ' CD1' ' B' ' 209' ' ' PHE . 3.3 mt -128.76 127.01 66.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.128 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -106.7 -25.57 11.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.835 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -112.65 78.32 2.73 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.553 0.692 . . . . 0.0 110.8 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 148.87 66.03 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.729 2.286 . . . . 0.0 112.325 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 18.3 mtm -95.38 155.89 16.55 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -55.07 -40.28 70.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.908 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -64.79 -49.23 71.51 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.888 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -55.26 -43.75 74.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.458 HG23 HD11 ' A' ' 100' ' ' ILE . 60.4 mt -69.26 -30.94 47.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.182 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.7 mt -64.29 -36.25 83.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.917 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 3.1 mm100 -54.6 -31.31 56.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.953 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 14.6 t -71.8 -34.62 52.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.142 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.52 HG22 ' HA ' ' A' ' 100' ' ' ILE . 92.9 t -63.03 -52.15 62.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.099 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 25.1 mmt180 -59.6 -25.81 64.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.86 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.565 ' OH ' HG21 ' A' ' 36' ' ' VAL . 74.2 t80 -75.27 -52.24 11.34 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.953 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 39.5 m -67.27 -46.24 74.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.88 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.768 HG22 HG11 ' A' ' 107' ' ' VAL . 35.0 p -52.84 -28.17 21.67 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.122 -179.872 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 58.9 m-20 -73.68 -38.6 64.84 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.837 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.826 HD23 ' HB2' ' A' ' 74' ' ' LEU . 1.0 OUTLIER -54.08 -31.72 52.7 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.892 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.622 HD13 HG13 ' A' ' 107' ' ' VAL . 5.6 mt -66.82 -49.64 72.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.041 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 48.3 mm-40 -73.17 -24.24 60.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.911 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -90.85 -10.95 40.8 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.889 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 59.4 mmtt 64.66 42.18 4.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.95 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -114.4 37.41 3.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.865 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 22.5 mt -57.67 -17.97 17.92 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.939 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -50.25 -55.7 14.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.961 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.678 ' HA ' HD12 ' A' ' 76' ' ' LEU . 0.0 OUTLIER -78.59 -22.38 47.18 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.93 179.93 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.826 ' HB2' HD23 ' A' ' 65' ' ' LEU . 44.3 tp -54.42 -57.27 11.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.92 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.78 -26.6 64.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.915 179.833 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.678 HD12 ' HA ' ' A' ' 73' ' ' LYS . 56.6 mt -76.79 -43.45 36.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.49 HG12 ' CE ' ' A' ' 81' ' ' MET . 92.6 t -69.03 -39.46 79.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.158 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.867 HG21 HD22 ' A' ' 116' ' ' LEU . 34.4 mm -63.16 -57.71 10.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.124 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.19 -32.17 71.93 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.637 ' CE1' HD11 ' A' ' 84' ' ' LEU . 60.3 t80 -67.36 -56.43 9.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.936 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.573 ' HA ' HD12 ' A' ' 84' ' ' LEU . 11.7 ptp -62.68 -27.52 69.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.89 179.85 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.52 -57.73 11.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 3.5 ptm180 -54.41 -25.67 26.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.869 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.647 HD13 ' HA ' ' A' ' 41' ' ' LYS . 43.1 mt -81.62 -53.65 6.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.927 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 19.4 mtt -63.31 -26.08 68.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.944 179.815 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 19.1 mm-40 -81.91 -42.18 19.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.919 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -80.6 -5.54 56.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 92.9 p -57.36 -179.17 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.824 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 2.7 p -104.18 -32.59 2.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.137 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.772 ' HB3' HG12 ' A' ' 92' ' ' VAL . 68.4 mm-40 -91.92 119.48 31.72 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.801 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -56.66 -24.98 52.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.8 -179.772 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.772 HG12 ' HB3' ' A' ' 90' ' ' GLU . 14.0 p -54.78 -32.06 25.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.098 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 7.9 m95 -61.25 -37.64 83.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.881 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 7.4 m120 -57.79 -38.46 75.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.909 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 33.8 mtm -72.47 -38.1 68.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.859 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -53.08 -43.48 66.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.12 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.663 ' CZ ' HD11 ' A' ' 101' ' ' LEU . 39.1 t80 -57.52 -46.64 83.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.953 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -65.32 -36.12 83.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.892 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 23.6 t80 -59.14 -43.23 92.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.52 ' HA ' HG22 ' A' ' 59' ' ' VAL . 13.1 mt -70.21 -38.51 74.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.102 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.663 HD11 ' CZ ' ' A' ' 97' ' ' PHE . 24.0 mt -69.41 -34.25 74.21 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.893 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -60.34 -27.3 67.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.864 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 9.1 m-80 -97.86 -38.61 9.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.944 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.458 HG23 ' O ' ' A' ' 100' ' ' ILE . 79.2 t -73.2 -59.07 3.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.16 179.831 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.829 ' HA ' HD23 ' A' ' 108' ' ' LEU . 14.4 mm-40 -49.18 -29.25 5.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 5.1 t -70.59 -57.06 8.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.187 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.768 HG11 HG22 ' A' ' 63' ' ' THR . 5.6 p -64.52 -25.28 37.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.144 179.852 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.865 HD21 ' HA ' ' A' ' 115' ' ' THR . 0.1 OUTLIER -74.41 -38.99 62.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 -179.964 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 109' ' ' GLN . . . . . 0.4 ' N ' ' HG ' ' A' ' 108' ' ' LEU . 23.0 mt-30 -66.89 -41.44 87.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.922 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -63.2 -15.52 57.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.904 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 57.1 m -95.67 -60.89 1.55 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.114 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -102.16 -43.03 5.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.86 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 111.48 -14.37 27.63 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.448 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.578 ' O ' HD11 ' A' ' 108' ' ' LEU . 1.2 t -93.21 -176.39 4.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.971 0.415 . . . . 0.0 110.89 -179.779 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 115' ' ' THR . . . . . 0.865 ' HA ' HD21 ' A' ' 108' ' ' LEU . 70.8 p -152.74 -178.02 6.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.093 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.867 HD22 HG21 ' A' ' 78' ' ' ILE . 0.1 OUTLIER -96.75 149.73 21.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.945 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.26 96.73 10.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.898 179.789 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.481 HG11 ' CZ ' ' A' ' 97' ' ' PHE . 3.8 m -118.16 90.16 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.182 179.817 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 14.1 t . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.171 -179.948 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 207' ' ' LYS . . . . . . . . . . . . . 16.0 mttp . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.801 0.334 . . . . 0.0 110.948 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 208' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -179.43 141.1 0.16 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.822 -179.888 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 209' ' ' PHE . . . . . 0.627 ' CD1' HD11 ' A' ' 47' ' ' ILE . 70.7 t80 -56.02 -47.58 77.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.89 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 210' ' ' PHE . . . . . . . . . . . . . 40.2 m-85 -59.66 -24.36 63.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.854 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 211' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -76.73 -44.29 33.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.857 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 212' ' ' LYS . . . . . . . . . . . . . 11.6 pttt -77.37 -18.79 57.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.892 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 213' ' ' LYS . . . . . . . . . . . . . 8.7 tmtt? -86.67 -44.77 11.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.898 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 214' ' ' ARG . . . . . . . . . . . . . 38.4 ptt85 -56.53 -25.9 53.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.86 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 215' ' ' SER . . . . . 0.427 ' HA ' HD12 ' B' ' 218' ' ' ILE . 67.8 p -78.4 -25.99 46.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.824 -179.772 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 216' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -55.23 -55.25 33.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.922 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 217' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.38 -32.26 73.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.917 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 218' ' ' ILE . . . . . 0.427 HD12 ' HA ' ' B' ' 215' ' ' SER . 59.3 mt -72.72 -23.9 21.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.148 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 219' ' ' SER . . . . . . . . . . . . . 12.3 t -136.58 86.13 2.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 220' ' ' ASN . . . . . . . . . . . . . 6.9 m120 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.917 -179.958 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.049 0 CA-C-O 120.839 0.352 . . . . 0.0 111.149 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.548 ' HB1' ' HD2' ' A' ' 25' ' ' PRO . . . -120.37 159.34 48.22 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.54 0.686 . . . . 0.0 111.136 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.548 ' HD2' ' HB1' ' A' ' 24' ' ' ALA . 53.7 Cg_endo -69.72 86.64 0.57 Allowed 'Trans proline' 0 N--CA 1.465 -0.158 0 C-N-CA 122.746 2.298 . . . . 0.0 112.302 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.437 ' OD1' HG22 ' A' ' 31' ' ' VAL . 4.3 m-20 -118.3 136.36 53.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.902 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.552 HD12 ' CG ' ' A' ' 61' ' ' TYR . 0.5 OUTLIER -107.19 114.94 29.3 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.954 179.919 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.537 ' HB3' HD13 ' A' ' 39' ' ' LEU . . . 56.56 29.01 14.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.116 179.775 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 90.56 12.97 60.36 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.426 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.543 ' HB2' HD11 ' A' ' 39' ' ' LEU . . . -107.78 117.4 34.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.862 0.363 . . . . 0.0 111.065 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.437 HG22 ' OD1' ' A' ' 26' ' ' ASN . 21.9 t -93.64 -45.26 13.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.069 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.644 ' O ' HG23 ' A' ' 36' ' ' VAL . 15.7 mt-10 -67.14 136.82 55.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.879 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 31.1 t80 -52.55 -51.52 59.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.822 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 74.2 p -51.71 -37.13 49.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.799 -179.727 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 68.6 m-20 -74.52 -29.47 61.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.853 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.644 HG23 ' O ' ' A' ' 32' ' ' GLU . 40.8 t -71.26 -56.88 9.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.184 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.75 ' HA ' HD12 ' A' ' 40' ' ' LEU . 3.0 ptmt -56.32 -34.56 66.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.947 179.842 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 51.7 m -62.99 -40.08 96.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.127 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.543 HD11 ' HB2' ' A' ' 30' ' ' ALA . 44.1 mt -66.56 -36.75 83.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.957 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.75 HD12 ' HA ' ' A' ' 37' ' ' LYS . 5.8 mt -71.95 -46.06 58.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.928 179.849 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.63 ' HA ' HD13 ' A' ' 84' ' ' LEU . 12.0 ttpt -52.7 -43.29 65.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.844 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.779 ' O ' HG22 ' A' ' 46' ' ' THR . 13.6 pt-20 -77.26 -42.83 35.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.834 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.493 ' HD1' HD13 ' A' ' 47' ' ' ILE . 38.9 t90 -63.58 -14.94 56.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.873 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.443 HG22 ' O ' ' A' ' 44' ' ' ILE . 53.3 mt -101.94 -14.68 8.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.128 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.572 HG23 ' O ' ' A' ' 41' ' ' LYS . 69.6 p -102.65 -55.86 2.36 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.136 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.779 HG22 ' O ' ' A' ' 42' ' ' GLU . 12.8 t -65.61 -16.71 63.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.1 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.506 HD11 ' CD1' ' B' ' 209' ' ' PHE . 3.3 mt -127.91 133.98 66.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.156 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -107.37 -33.11 7.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.805 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -110.75 82.68 3.07 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.523 0.678 . . . . 0.0 110.791 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 144.55 54.16 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.627 2.218 . . . . 0.0 112.377 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 9.0 ttp -89.09 159.76 17.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.896 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 81.0 tt0 -56.49 -51.44 68.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.92 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 66.7 mm-40 -52.31 -50.95 61.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.911 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -55.17 -47.11 75.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.905 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.405 HG23 HD11 ' A' ' 100' ' ' ILE . 57.1 mt -65.71 -30.77 51.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.151 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 7.1 mt -66.61 -35.54 80.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.955 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 3.5 mm-40 -54.1 -31.73 52.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.864 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 13.9 t -71.66 -34.64 52.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.112 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.496 HG22 ' HA ' ' A' ' 100' ' ' ILE . 97.5 t -63.77 -52.89 51.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.099 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 12.7 mmm180 -59.44 -26.56 65.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.89 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.552 ' CG ' HD12 ' A' ' 27' ' ' LEU . 72.1 t80 -75.53 -53.78 8.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.973 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' CYS . . . . . 0.421 ' HB2' HG21 ' A' ' 104' ' ' VAL . 17.6 m -65.44 -43.44 90.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.918 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.754 HG22 HG11 ' A' ' 107' ' ' VAL . 39.4 p -56.9 -27.15 60.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.132 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 62.0 m-20 -74.21 -37.25 63.92 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.819 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.62 HD23 ' HB2' ' A' ' 74' ' ' LEU . 1.9 mp -54.52 -33.74 60.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.856 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.601 HD13 HG13 ' A' ' 107' ' ' VAL . 5.4 mt -63.88 -47.89 88.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.119 179.841 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -73.73 -33.08 64.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.829 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -82.89 -8.43 59.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.829 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 3.2 mmmt 63.3 38.8 10.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -109.98 35.68 3.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.91 179.832 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.45 HD11 ' CZ ' ' A' ' 112' ' ' TYR . 19.3 mt -53.27 -24.88 12.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.904 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -50.46 -47.79 56.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.845 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.782 ' HA ' HD12 ' A' ' 76' ' ' LEU . 5.5 mtpt -78.73 -22.63 46.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.62 ' HB2' HD23 ' A' ' 65' ' ' LEU . 24.0 tp -58.02 -61.72 2.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.92 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.517 ' HA ' HD11 ' A' ' 116' ' ' LEU . 1.2 m-20 -54.27 -27.02 32.28 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.852 179.836 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.782 HD12 ' HA ' ' A' ' 73' ' ' LYS . 47.3 mt -76.72 -47.73 20.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.906 -179.878 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.492 HG23 ' O ' ' A' ' 73' ' ' LYS . 87.1 t -68.2 -37.75 78.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.12 179.822 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.705 HG21 HD22 ' A' ' 116' ' ' LEU . 33.7 mm -65.1 -57.34 11.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.155 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.83 -30.36 70.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.875 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.622 ' CE1' HD11 ' A' ' 84' ' ' LEU . 56.8 t80 -68.48 -56.72 7.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.907 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.475 ' HA ' HD12 ' A' ' 84' ' ' LEU . 12.9 ptp -62.35 -27.36 69.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.831 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.03 -57.4 13.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.934 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 3.7 ptm180 -54.66 -26.35 32.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.864 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.63 HD13 ' HA ' ' A' ' 41' ' ' LYS . 66.4 mt -80.72 -54.66 5.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.914 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 26.9 mtt -62.01 -28.63 69.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.844 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -78.84 -48.49 14.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.939 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -69.3 -19.88 63.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.951 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 21.8 m -51.75 152.96 2.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.806 -179.758 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.556 HG13 ' CD ' ' A' ' 90' ' ' GLU . 3.5 p -77.02 -33.05 20.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.211 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.556 ' CD ' HG13 ' A' ' 89' ' ' VAL . 46.8 mp0 -84.75 128.77 34.77 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.897 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 4.4 p -71.67 -24.39 61.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.839 -179.76 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.516 HG12 ' HB3' ' A' ' 90' ' ' GLU . 10.8 p -54.78 -26.33 16.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.132 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 37.4 m95 -65.66 -33.46 75.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.943 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 7.8 m-80 -60.85 -35.91 77.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.905 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 18.0 mtm -72.52 -39.8 67.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.877 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -53.48 -44.05 68.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.173 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.668 ' CZ ' HD11 ' A' ' 101' ' ' LEU . 32.1 t80 -56.57 -49.45 74.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.932 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.0 -35.89 81.73 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.819 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 19.4 t80 -60.66 -44.8 96.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.857 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.496 ' HA ' HG22 ' A' ' 59' ' ' VAL . 21.2 mt -68.78 -38.26 78.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.11 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.668 HD11 ' CZ ' ' A' ' 97' ' ' PHE . 21.3 mt -70.47 -33.98 71.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.935 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -59.79 -25.98 65.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.851 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 30.3 m-80 -97.81 -41.33 8.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.837 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.421 HG21 ' HB2' ' A' ' 62' ' ' CYS . 75.1 t -71.36 -58.5 5.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.151 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.818 ' HA ' HD23 ' A' ' 108' ' ' LEU . 14.3 mm-40 -49.04 -29.32 4.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.984 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 6.2 t -71.5 -55.41 13.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.112 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.754 HG11 HG22 ' A' ' 63' ' ' THR . 5.6 p -65.96 -25.47 36.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.14 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.855 HD21 ' HA ' ' A' ' 115' ' ' THR . 0.1 OUTLIER -74.17 -38.72 63.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.003 179.894 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -66.85 -41.11 87.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.944 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -63.36 -15.68 58.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.922 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 52.7 m -95.75 -60.48 1.64 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.145 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' TYR . . . . . 0.45 ' CZ ' HD11 ' A' ' 71' ' ' LEU . 9.5 m-85 -102.44 -43.11 5.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.97 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 111.09 -14.35 28.59 Favored Glycine 0 C--N 1.331 0.298 0 C-N-CA 120.659 -0.781 . . . . 0.0 112.498 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.59 ' O ' HD11 ' A' ' 108' ' ' LEU . 94.4 p -93.31 -177.7 4.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.941 0.4 . . . . 0.0 110.908 -179.768 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 115' ' ' THR . . . . . 0.855 ' HA ' HD21 ' A' ' 108' ' ' LEU . 82.1 p -152.64 170.81 19.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.14 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.705 HD22 HG21 ' A' ' 78' ' ' ILE . 0.1 OUTLIER -86.82 142.9 27.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.73 97.8 10.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.977 179.764 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.488 HG11 ' CZ ' ' A' ' 97' ' ' PHE . 3.7 m -118.23 87.9 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.081 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 15.3 t . . . . . 0 C--N 1.33 -0.25 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.175 179.984 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 207' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.784 0.326 . . . . 0.0 110.914 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 208' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -179.11 146.7 0.31 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.909 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 209' ' ' PHE . . . . . 0.506 ' CD1' HD11 ' A' ' 47' ' ' ILE . 65.1 t80 -61.92 -36.86 82.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 210' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 -67.66 -25.83 65.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.91 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 211' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -75.72 -42.53 50.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.834 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 212' ' ' LYS . . . . . . . . . . . . . 11.2 ptpt -77.22 -24.99 51.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.866 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 213' ' ' LYS . . . . . 0.472 ' HG2' HD22 ' A' ' 39' ' ' LEU . 0.4 OUTLIER -77.92 -34.29 51.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.905 179.895 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 214' ' ' ARG . . . . . . . . . . . . . 2.2 ptm180 -74.16 -24.66 59.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.827 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 215' ' ' SER . . . . . . . . . . . . . 1.9 t -78.08 -50.47 11.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.868 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 216' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -53.54 -41.35 66.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.856 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 217' ' ' ARG . . . . . . . . . . . . . 8.0 ptm180 -68.51 -27.21 65.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.849 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 218' ' ' ILE . . . . . . . . . . . . . 61.6 mt -80.8 -38.06 16.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.204 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 219' ' ' SER . . . . . . . . . . . . . 48.2 t -135.59 115.08 12.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 220' ' ' ASN . . . . . . . . . . . . . 31.2 t30 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.831 -179.949 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 -0.052 0 CA-C-O 120.876 0.37 . . . . 0.0 111.141 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.576 ' HB1' ' HD2' ' A' ' 25' ' ' PRO . . . -106.63 160.2 27.11 Favored Pre-proline 0 C--N 1.331 -0.23 0 CA-C-O 121.633 0.73 . . . . 0.0 111.079 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.576 ' HD2' ' HB1' ' A' ' 24' ' ' ALA . 53.3 Cg_endo -69.78 83.25 0.71 Allowed 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.682 2.255 . . . . 0.0 112.347 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.51 ' CG ' HG22 ' A' ' 31' ' ' VAL . 3.0 m-20 -118.38 135.31 54.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.969 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.623 HD22 HG13 ' A' ' 36' ' ' VAL . 7.5 tp -98.81 102.84 14.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.881 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.419 ' HB1' ' HB3' ' B' ' 214' ' ' ARG . . . 58.4 36.11 25.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.14 179.805 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 94.97 -7.88 70.11 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.465 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.455 ' HB2' HD11 ' A' ' 39' ' ' LEU . . . -88.66 111.14 21.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.842 0.353 . . . . 0.0 111.132 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.51 HG22 ' CG ' ' A' ' 26' ' ' ASN . 24.9 t -93.43 -37.65 8.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.141 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.561 ' O ' HG23 ' A' ' 36' ' ' VAL . 65.9 mt-10 -73.22 141.96 47.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.863 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 37.8 t80 -54.82 -51.53 65.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.896 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.8 p -52.04 -37.13 52.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.872 -179.798 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 83.3 m-20 -73.29 -29.98 63.09 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.861 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.675 HG21 ' OH ' ' A' ' 61' ' ' TYR . 97.5 t -72.01 -56.72 9.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.092 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.703 ' HA ' HD12 ' A' ' 40' ' ' LEU . 3.5 ptmt -56.43 -31.88 64.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.936 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 52.1 m -67.92 -38.45 82.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.113 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.455 HD11 ' HB2' ' A' ' 30' ' ' ALA . 65.2 mt -70.47 -35.44 73.31 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.86 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.703 HD12 ' HA ' ' A' ' 37' ' ' LYS . 6.8 mt -71.98 -46.68 56.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.925 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.675 ' HA ' HD13 ' A' ' 84' ' ' LEU . 3.5 ttpt -53.01 -43.08 66.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.836 179.827 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.775 ' O ' HG22 ' A' ' 46' ' ' THR . 12.1 pt-20 -76.89 -42.25 40.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.89 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.471 ' HD1' HD13 ' A' ' 47' ' ' ILE . 36.8 t90 -63.48 -14.84 54.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.91 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.413 HG22 ' O ' ' A' ' 44' ' ' ILE . 42.8 mt -101.93 -16.26 7.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.116 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.599 HG23 ' O ' ' A' ' 41' ' ' LYS . 77.5 p -100.26 -55.52 2.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.125 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.775 HG22 ' O ' ' A' ' 42' ' ' GLU . 13.1 t -66.45 -16.35 64.04 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.121 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.555 HD11 ' CD1' ' B' ' 209' ' ' PHE . 3.4 mt -129.67 126.24 62.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.129 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.5 m -106.87 -25.43 11.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.774 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -113.35 78.69 3.56 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.581 0.705 . . . . 0.0 110.861 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 153.01 69.25 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.707 2.271 . . . . 0.0 112.339 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 40.6 mtm -100.38 161.04 13.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.889 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -57.53 -36.4 71.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.872 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -67.38 -50.45 59.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -55.29 -51.44 66.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.777 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.487 HG23 HD11 ' A' ' 100' ' ' ILE . 57.9 mt -63.16 -30.74 50.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.157 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 5.3 mt -66.31 -37.82 86.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.883 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 83.8 mm-40 -54.11 -29.53 45.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.881 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 15.2 t -73.3 -34.65 44.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.1 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.522 HG22 ' HA ' ' A' ' 100' ' ' ILE . 97.4 t -62.0 -52.16 63.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.132 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 30.8 mmt180 -59.5 -25.24 64.29 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.877 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.675 ' OH ' HG21 ' A' ' 36' ' ' VAL . 67.8 t80 -75.55 -52.22 11.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.857 -179.821 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 42.1 m -67.25 -45.91 75.31 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.884 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.774 HG22 HG11 ' A' ' 107' ' ' VAL . 38.0 p -54.03 -27.84 34.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.1 -179.836 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 75.2 m-20 -73.73 -37.85 64.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.88 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.817 HD23 ' HB2' ' A' ' 74' ' ' LEU . 0.9 OUTLIER -54.23 -35.84 62.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.909 -179.936 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.616 HD13 HG13 ' A' ' 107' ' ' VAL . 5.2 mt -61.52 -49.3 84.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.115 179.84 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -73.18 -30.42 63.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.886 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -86.09 -2.82 58.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.964 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER 56.46 43.22 26.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.905 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -114.49 33.51 5.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.821 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.603 HD11 ' CE2' ' A' ' 112' ' ' TYR . 20.9 mt -57.06 -18.18 13.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.926 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 18.7 tp10 -49.85 -54.66 18.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.918 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.762 ' HA ' HD12 ' A' ' 76' ' ' LEU . 0.0 OUTLIER -78.56 -22.75 46.73 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.954 179.941 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.817 ' HB2' HD23 ' A' ' 65' ' ' LEU . 38.0 tp -53.16 -52.39 58.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.12 -27.89 69.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.873 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.762 HD12 ' HA ' ' A' ' 73' ' ' LYS . 36.1 mt -76.17 -39.83 53.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.906 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 90.5 t -73.31 -45.95 51.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.149 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.747 HG21 HD22 ' A' ' 116' ' ' LEU . 28.8 mm -55.83 -55.16 19.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.149 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.52 -35.7 81.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.885 179.821 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.664 ' CE1' HD11 ' A' ' 84' ' ' LEU . 52.0 t80 -64.12 -50.34 68.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.94 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.583 ' HA ' HD12 ' A' ' 84' ' ' LEU . 10.7 ptp -67.76 -27.51 66.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.934 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.36 -57.22 13.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.896 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 4.7 ptm180 -53.66 -27.22 26.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.675 HD13 ' HA ' ' A' ' 41' ' ' LYS . 27.9 mt -81.24 -54.07 5.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.957 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 21.1 mtt -60.66 -29.41 69.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.931 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -78.21 -50.12 12.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.865 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -69.55 -18.53 63.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 7.2 m -51.67 151.37 3.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.833 -179.772 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 3.4 p -74.09 -32.06 31.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.198 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.621 ' HB3' HG12 ' A' ' 92' ' ' VAL . 2.4 mm-40 -84.57 126.62 33.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.877 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 2.2 t -71.61 -25.89 62.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.839 -179.752 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.621 HG12 ' HB3' ' A' ' 90' ' ' GLU . 10.8 p -55.02 -26.88 18.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.086 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 14.9 m95 -61.85 -34.84 76.71 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.961 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 7.3 m-80 -57.26 -38.78 74.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.863 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 23.2 mtm -72.47 -38.79 68.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.926 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -53.09 -45.33 68.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.061 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.619 ' CZ ' HD11 ' A' ' 101' ' ' LEU . 39.7 t80 -56.68 -46.58 81.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.859 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 42.8 t0 -65.24 -35.64 81.66 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 28.1 t80 -60.12 -45.06 94.26 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.912 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.522 ' HA ' HG22 ' A' ' 59' ' ' VAL . 13.0 mt -68.58 -38.45 79.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.136 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.619 HD11 ' CZ ' ' A' ' 97' ' ' PHE . 24.2 mt -69.49 -34.21 73.99 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.97 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -60.05 -27.57 67.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.815 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 10.8 m-80 -97.74 -39.13 9.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.849 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.46 HG23 ' O ' ' A' ' 100' ' ' ILE . 78.1 t -72.65 -58.96 3.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.093 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.831 ' HA ' HD23 ' A' ' 108' ' ' LEU . 13.7 mm-40 -49.07 -29.33 4.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.948 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 5.6 t -70.63 -57.15 8.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.109 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.774 HG11 HG22 ' A' ' 63' ' ' THR . 5.4 p -64.36 -25.73 38.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.108 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.864 HD21 ' HA ' ' A' ' 115' ' ' THR . 0.1 OUTLIER -74.34 -38.75 63.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.925 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 14.9 mt-30 -67.13 -41.33 86.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.926 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 45.9 mt-30 -63.86 -14.84 56.53 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.924 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 54.6 m -96.13 -60.27 1.66 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.134 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' TYR . . . . . 0.603 ' CE2' HD11 ' A' ' 71' ' ' LEU . 11.1 m-85 -102.69 -42.82 5.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.917 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 111.44 -14.5 27.69 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.486 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.575 ' O ' HD11 ' A' ' 108' ' ' LEU . 0.9 OUTLIER -94.08 -175.29 3.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.854 0.359 . . . . 0.0 110.917 -179.773 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 115' ' ' THR . . . . . 0.864 ' HA ' HD21 ' A' ' 108' ' ' LEU . 67.2 p -152.61 176.35 11.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.13 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.747 HD22 HG21 ' A' ' 78' ' ' ILE . 0.1 OUTLIER -92.87 136.77 32.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.932 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.22 98.9 6.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 179.799 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 3.8 m -117.99 92.94 2.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.085 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 15.4 t . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.171 179.972 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 207' ' ' LYS . . . . . . . . . . . . . 18.4 mtmt . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.785 0.326 . . . . 0.0 110.923 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 208' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -178.16 149.32 0.54 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 209' ' ' PHE . . . . . 0.555 ' CD1' HD11 ' A' ' 47' ' ' ILE . 73.7 t80 -77.39 -40.81 42.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.961 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 210' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 -63.06 -25.38 68.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.86 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 211' ' ' ASP . . . . . . . . . . . . . 15.1 t0 -74.75 -47.23 32.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.86 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 212' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -70.55 -25.33 63.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 213' ' ' LYS . . . . . . . . . . . . . 10.3 tppt? -82.95 -53.37 5.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.919 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 214' ' ' ARG . . . . . 0.419 ' HB3' ' HB1' ' A' ' 28' ' ' ALA . 11.8 ptp180 -53.26 -28.67 28.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.885 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 215' ' ' SER . . . . . . . . . . . . . 1.7 t -64.49 -46.31 83.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 216' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -60.68 -32.05 71.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.937 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 217' ' ' ARG . . . . . . . . . . . . . 26.5 ttt-85 -71.46 -31.44 67.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.829 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 218' ' ' ILE . . . . . . . . . . . . . 22.4 mt -77.93 -56.97 6.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.127 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 219' ' ' SER . . . . . . . . . . . . . 1.4 p -78.07 140.87 39.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.84 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 220' ' ' ASN . . . . . . . . . . . . . 10.5 m-80 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.855 179.969 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.777 0.323 . . . . 0.0 111.108 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.554 ' HB1' ' HD2' ' A' ' 25' ' ' PRO . . . -90.8 160.12 39.02 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.609 0.719 . . . . 0.0 111.045 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.554 ' HD2' ' HB1' ' A' ' 24' ' ' ALA . 53.0 Cg_endo -69.85 96.1 0.59 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.644 2.229 . . . . 0.0 112.344 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.456 ' OD1' HG22 ' A' ' 31' ' ' VAL . 2.0 m-20 -128.13 135.26 49.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.876 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.661 HD21 HD21 ' A' ' 40' ' ' LEU . 4.4 tp -103.07 110.86 22.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 55.11 28.05 10.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.086 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 95.03 13.11 54.13 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.492 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.502 ' HB2' HD11 ' A' ' 39' ' ' LEU . . . -108.12 110.47 22.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.865 0.364 . . . . 0.0 111.058 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.456 HG22 ' OD1' ' A' ' 26' ' ' ASN . 21.9 t -89.68 -34.02 6.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.123 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.746 ' O ' HG23 ' A' ' 36' ' ' VAL . 29.3 mt-10 -73.15 144.64 46.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.907 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 37.0 t80 -60.19 -52.77 63.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.881 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 13.5 p -52.15 -36.48 51.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.819 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 42.1 t0 -73.8 -29.66 62.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.885 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.746 HG23 ' O ' ' A' ' 32' ' ' GLU . 94.9 t -72.2 -56.28 10.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.14 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.476 ' HA ' HD12 ' A' ' 40' ' ' LEU . 3.6 ptmt -57.13 -33.51 67.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.854 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 54.2 m -65.77 -38.32 88.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.129 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.502 HD11 ' HB2' ' A' ' 30' ' ' ALA . 19.8 mt -70.43 -36.5 74.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.925 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.661 HD21 HD21 ' A' ' 27' ' ' LEU . 12.5 mt -71.86 -44.14 64.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.883 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.711 ' HA ' HD13 ' A' ' 84' ' ' LEU . 14.4 ttpt -52.0 -46.25 64.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.937 179.855 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.78 ' O ' HG22 ' A' ' 46' ' ' THR . 19.8 pt-20 -77.4 -40.6 43.08 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.83 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.482 ' HD1' HD13 ' A' ' 47' ' ' ILE . 32.2 t90 -63.07 -15.38 56.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.925 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.42 HG22 ' O ' ' A' ' 44' ' ' ILE . 45.6 mt -102.04 -15.6 7.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.142 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.605 HG23 ' O ' ' A' ' 41' ' ' LYS . 82.8 p -100.66 -56.0 2.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.113 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.78 HG22 ' O ' ' A' ' 42' ' ' GLU . 13.4 t -65.9 -14.39 61.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.072 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.613 HD11 ' CD1' ' B' ' 209' ' ' PHE . 3.4 mt -130.33 128.07 63.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.122 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -107.01 -26.41 11.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.851 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -114.74 80.98 6.83 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.613 0.721 . . . . 0.0 110.844 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 149.92 67.08 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.721 2.281 . . . . 0.0 112.243 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 6.3 mtp -98.3 152.16 19.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -54.59 -28.91 49.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.952 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -71.07 -42.23 69.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.825 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -69.38 -45.77 68.51 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.895 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 54.9 mt -64.35 -32.59 58.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.209 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 8.2 mt -63.03 -39.39 94.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.872 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 8.0 mm-40 -54.11 -30.98 50.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.891 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 15.0 t -71.85 -34.5 51.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.165 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.57 HG22 ' HA ' ' A' ' 100' ' ' ILE . 92.4 t -65.44 -52.06 56.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.085 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 17.6 mmm180 -59.51 -25.67 64.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.827 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.426 ' OH ' HG21 ' A' ' 36' ' ' VAL . 59.2 t80 -75.08 -52.65 10.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.935 -179.849 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 34.6 m -66.89 -45.84 76.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.859 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.713 HG22 HG11 ' A' ' 107' ' ' VAL . 36.0 p -53.81 -28.2 33.93 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.09 -179.809 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 39.4 m-20 -73.85 -38.18 64.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.897 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.826 HD23 ' HB2' ' A' ' 74' ' ' LEU . 0.9 OUTLIER -53.86 -30.56 46.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.965 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.612 HD13 HG13 ' A' ' 107' ' ' VAL . 5.9 mt -67.83 -47.03 81.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.201 179.798 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 37.0 mm-40 -73.12 -28.25 62.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 60.2 mm-40 -88.76 -11.22 45.63 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.895 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 48.4 mmtt 64.81 42.87 4.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.917 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -113.64 36.61 3.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.806 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.426 HD11 ' CE2' ' A' ' 112' ' ' TYR . 22.2 mt -57.24 -18.51 16.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.882 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 48.5 tt0 -49.91 -54.46 19.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.8 ' HE2' HD11 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -78.89 -22.19 46.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.862 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.826 ' HB2' HD23 ' A' ' 65' ' ' LEU . 36.7 tp -54.68 -58.01 9.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.941 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -57.21 -27.67 62.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.666 HD12 ' HA ' ' A' ' 73' ' ' LYS . 47.0 mt -76.6 -43.86 36.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.854 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.523 HG12 ' CE ' ' A' ' 81' ' ' MET . 90.9 t -70.36 -40.18 77.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.156 179.825 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.76 HG21 HD22 ' A' ' 116' ' ' LEU . 32.8 mm -63.67 -55.16 24.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.141 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.444 ' HA ' ' HG2' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -63.23 -25.57 68.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.944 179.775 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.669 ' CE1' HD11 ' A' ' 84' ' ' LEU . 38.4 t80 -79.05 -43.53 24.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.89 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.534 ' CE ' HD13 ' A' ' 78' ' ' ILE . 14.2 ptp -74.94 -31.93 61.62 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.922 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.444 ' HG2' ' HA ' ' A' ' 79' ' ' LYS . 0.0 OUTLIER -70.66 -31.82 68.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.917 179.886 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 10.1 ptt85 -71.97 -29.57 64.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.863 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.711 HD13 ' HA ' ' A' ' 41' ' ' LYS . 17.6 mt -82.35 -55.3 4.59 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.943 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 37.2 mtt -55.23 -26.53 40.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.864 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 59.4 mt-30 -80.21 -51.12 9.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.962 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -71.04 -10.04 59.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.923 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -55.66 177.05 0.05 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 -179.81 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 3.1 p -96.97 -32.73 4.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.161 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.702 ' HB3' HG12 ' A' ' 92' ' ' VAL . 77.7 mm-40 -85.5 125.73 33.28 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.916 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 5.4 p -66.82 -27.54 67.64 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.702 HG12 ' HB3' ' A' ' 90' ' ' GLU . 6.9 p -54.93 -27.41 18.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.169 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 11.1 m95 -63.29 -34.15 77.05 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.973 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 11.6 m-80 -57.82 -42.24 83.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.912 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 23.9 mtm -72.59 -38.09 67.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -53.15 -43.29 66.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.075 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.825 ' CZ ' HD11 ' A' ' 101' ' ' LEU . 24.4 t80 -61.28 -41.98 97.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.819 -179.867 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -67.82 -33.61 75.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.847 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 31.6 t80 -59.13 -45.27 91.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.855 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.57 ' HA ' HG22 ' A' ' 59' ' ' VAL . 6.0 mt -67.5 -42.41 86.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.188 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.825 HD11 ' CZ ' ' A' ' 97' ' ' PHE . 7.0 mt -66.2 -35.0 79.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.955 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -60.24 -27.77 67.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.877 179.805 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 13.7 m-80 -98.33 -37.8 9.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.444 HG23 ' O ' ' A' ' 100' ' ' ILE . 84.1 t -74.57 -59.83 2.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.099 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.816 ' HA ' HD23 ' A' ' 108' ' ' LEU . 8.3 mm-40 -49.0 -28.88 4.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.905 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 3.9 t -70.9 -57.14 8.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.124 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.713 HG11 HG22 ' A' ' 63' ' ' THR . 5.9 p -63.95 -25.15 37.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.136 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.829 HD21 ' HA ' ' A' ' 115' ' ' THR . 0.1 OUTLIER -74.09 -39.24 63.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 179.931 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 109' ' ' GLN . . . . . 0.404 ' N ' ' HG ' ' A' ' 108' ' ' LEU . 17.5 mt-30 -66.23 -41.09 90.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.951 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 -64.09 -14.95 58.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.87 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 53.2 m -95.77 -60.95 1.54 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.142 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' TYR . . . . . 0.426 ' CE2' HD11 ' A' ' 71' ' ' LEU . 11.1 m-85 -101.33 -43.18 6.03 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.952 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 104.98 42.42 1.8 Allowed Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.502 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 3.0 m -153.04 178.31 9.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.0 0.429 . . . . 0.0 110.855 -179.779 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' THR . . . . . 0.829 ' HA ' HD21 ' A' ' 108' ' ' LEU . 58.7 p -151.74 145.01 24.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.193 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.76 HD22 HG21 ' A' ' 78' ' ' ILE . 0.0 OUTLIER -52.93 155.16 2.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.886 -179.957 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -111.61 99.1 7.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.967 179.773 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 5.8 m -111.12 110.95 34.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.143 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 10.2 t . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.14 -179.944 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 207' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.733 0.301 . . . . 0.0 110.926 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 208' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -168.73 151.35 5.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.835 -179.861 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 209' ' ' PHE . . . . . 0.613 ' CD1' HD11 ' A' ' 47' ' ' ILE . 82.7 t80 -67.69 -43.17 80.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.846 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 210' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 -60.37 -24.38 65.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 211' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -76.83 -44.26 33.08 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.808 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 212' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -77.29 -19.16 56.84 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.918 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 213' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -84.89 -44.0 13.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.935 179.855 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 214' ' ' ARG . . . . . . . . . . . . . 7.6 ptm180 -56.04 -25.34 44.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.858 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 215' ' ' SER . . . . . 0.68 ' HA ' HD12 ' B' ' 218' ' ' ILE . 29.4 t -73.85 -25.87 60.28 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 -179.834 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 216' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -53.75 -57.26 11.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.902 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 217' ' ' ARG . . . . . . . . . . . . . 2.8 ptt85 -57.78 -31.85 66.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.835 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 218' ' ' ILE . . . . . 0.68 HD12 ' HA ' ' B' ' 215' ' ' SER . 74.6 mt -67.15 -24.01 31.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.129 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 219' ' ' SER . . . . . . . . . . . . . 5.2 t -118.55 -171.46 2.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 220' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.901 -179.997 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.096 0 CA-C-O 120.708 0.29 . . . . 0.0 111.045 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.586 ' HB1' ' HD2' ' A' ' 25' ' ' PRO . . . -115.33 160.38 34.51 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.568 0.699 . . . . 0.0 111.072 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.586 ' HD2' ' HB1' ' A' ' 24' ' ' ALA . 54.4 Cg_endo -69.74 91.63 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.629 2.219 . . . . 0.0 112.388 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.505 ' CG ' HG22 ' A' ' 31' ' ' VAL . 3.3 m-20 -123.83 145.82 48.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.857 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.514 HD21 HD21 ' A' ' 40' ' ' LEU . 12.8 tp -102.56 113.76 27.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.916 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.407 ' HB1' ' HB3' ' B' ' 214' ' ' ARG . . . 55.58 27.26 10.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.097 179.813 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 95.04 12.99 54.5 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.516 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.466 ' HB2' HD11 ' A' ' 39' ' ' LEU . . . -104.6 117.83 35.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.778 0.323 . . . . 0.0 111.058 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.505 HG22 ' CG ' ' A' ' 26' ' ' ASN . 31.6 t -94.58 -40.57 11.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.136 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.553 ' O ' HG23 ' A' ' 36' ' ' VAL . 37.7 mt-10 -69.81 136.3 50.64 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.886 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 48.4 t80 -55.19 -49.78 71.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.849 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -51.74 -37.8 52.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.871 -179.825 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -74.16 -29.57 61.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.861 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.553 HG23 ' O ' ' A' ' 32' ' ' GLU . 93.0 t -71.57 -57.25 7.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.186 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.555 ' HA ' HD12 ' A' ' 40' ' ' LEU . 6.5 pttt -56.48 -31.87 64.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.936 179.833 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 53.8 m -67.74 -38.75 83.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.149 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.466 HD11 ' HB2' ' A' ' 30' ' ' ALA . 10.8 mt -69.72 -36.06 75.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.904 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.555 HD12 ' HA ' ' A' ' 37' ' ' LYS . 10.2 mt -72.05 -45.97 58.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.938 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.717 ' HA ' HD13 ' A' ' 84' ' ' LEU . 11.1 ttpt -52.94 -42.88 65.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.907 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.772 ' O ' HG22 ' A' ' 46' ' ' THR . 13.1 pt-20 -77.21 -41.97 39.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.915 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.506 ' HD1' HD13 ' A' ' 47' ' ' ILE . 35.8 t90 -63.14 -15.41 56.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.928 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.449 HG22 ' O ' ' A' ' 44' ' ' ILE . 40.0 mt -101.93 -13.69 8.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.125 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.587 HG23 ' O ' ' A' ' 41' ' ' LYS . 71.4 p -103.65 -56.14 2.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.08 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.772 HG22 ' O ' ' A' ' 42' ' ' GLU . 13.1 t -64.92 -15.98 62.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.181 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.665 HD11 ' CD1' ' B' ' 209' ' ' PHE . 3.2 mt -127.35 130.36 70.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.078 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 58.6 m -107.39 -28.92 9.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.872 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -111.24 81.42 2.88 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.609 0.719 . . . . 0.0 110.898 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.85 138.49 37.65 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.663 2.242 . . . . 0.0 112.329 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 49.9 mtm -85.92 157.43 20.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -58.21 -40.24 81.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.898 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 39.6 tp10 -65.27 -46.76 79.18 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -57.39 -50.48 72.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.908 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 60.4 mt -64.43 -31.42 53.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.163 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.5 mt -63.19 -39.34 94.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.919 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 15.2 mm-40 -53.87 -32.28 52.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 16.1 t -71.0 -34.51 55.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.08 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.635 HG22 ' HA ' ' A' ' 100' ' ' ILE . 82.0 t -62.19 -51.68 69.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.159 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 12.8 mmm180 -58.85 -25.6 63.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.854 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 69.2 t80 -74.71 -52.69 10.91 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.916 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 67.5 m -67.75 -46.12 72.99 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.828 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.565 HG22 ' HA ' ' A' ' 104' ' ' VAL . 74.5 p -55.09 -26.61 39.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.12 -179.851 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 40.6 m-20 -73.55 -38.42 65.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.886 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.636 HD23 ' HB2' ' A' ' 74' ' ' LEU . 1.8 mp -54.47 -31.84 56.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.946 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.689 HD13 HG13 ' A' ' 107' ' ' VAL . 3.7 mt -65.41 -46.46 90.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.176 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 52.4 mm-40 -73.92 -34.04 64.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.846 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 39.2 mm-40 -82.36 -10.23 59.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 51.4 mmtt 65.08 40.08 5.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 22.8 m-20 -111.52 36.86 3.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.849 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 25.2 mt -53.81 -23.3 11.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.937 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -50.24 -49.33 53.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.928 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.714 ' HA ' HD12 ' A' ' 76' ' ' LEU . 5.0 mtpt -78.87 -22.7 45.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.864 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.636 ' HB2' HD23 ' A' ' 65' ' ' LEU . 23.9 tp -57.41 -55.6 32.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.956 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.779 ' HA ' HD21 ' A' ' 116' ' ' LEU . 4.9 t0 -59.02 -26.68 64.77 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.881 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.714 HD12 ' HA ' ' A' ' 73' ' ' LYS . 45.4 mt -76.93 -49.19 16.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.939 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.613 HG12 ' CE ' ' A' ' 81' ' ' MET . 88.6 t -68.27 -38.3 79.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.157 179.813 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.798 HG21 HD22 ' A' ' 116' ' ' LEU . 29.5 mm -67.07 -53.37 34.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.118 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.464 ' HA ' ' HG2' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -64.3 -25.16 67.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.942 179.826 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.685 ' CE1' HD11 ' A' ' 84' ' ' LEU . 38.7 t80 -81.03 -43.48 19.51 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.908 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.613 ' CE ' HG12 ' A' ' 77' ' ' VAL . 14.5 ptp -74.37 -32.5 62.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.95 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.464 ' HG2' ' HA ' ' A' ' 79' ' ' LYS . 0.0 OUTLIER -70.68 -32.34 69.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.87 179.923 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 2.4 ptm180 -71.14 -28.72 64.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.805 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.717 HD13 ' HA ' ' A' ' 41' ' ' LYS . 17.0 mt -82.6 -53.3 6.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.923 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 25.3 mtt -57.46 -29.22 64.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -78.25 -50.56 11.64 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.899 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -70.51 -10.61 59.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.916 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 5.1 m -55.08 176.98 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.886 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.475 HG13 ' CD ' ' A' ' 90' ' ' GLU . 2.7 p -99.64 -31.62 3.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.128 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.48 ' HB3' HG12 ' A' ' 92' ' ' VAL . 35.4 mp0 -83.47 132.35 34.96 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.909 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.2 m -71.51 -25.65 62.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.85 -179.781 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.48 HG12 ' HB3' ' A' ' 90' ' ' GLU . 9.5 p -61.11 -25.06 35.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.079 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 8.7 m95 -66.48 -34.14 77.25 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.002 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -58.13 -41.38 83.52 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.935 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 22.7 mtm -72.83 -34.07 66.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.855 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -53.49 -46.06 69.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.095 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.8 ' CZ ' HD11 ' A' ' 101' ' ' LEU . 25.4 t80 -61.29 -38.86 88.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.864 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -68.81 -34.1 74.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.888 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 38.2 t80 -58.89 -48.58 80.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.896 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.635 ' HA ' HG22 ' A' ' 59' ' ' VAL . 5.2 mt -63.77 -41.48 92.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.115 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.8 HD11 ' CZ ' ' A' ' 97' ' ' PHE . 22.6 mt -67.64 -33.05 74.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.972 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -60.96 -29.64 69.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.84 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 17.1 m-80 -98.31 -34.85 10.52 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.923 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.565 ' HA ' HG22 ' A' ' 63' ' ' THR . 81.2 t -76.2 -60.78 2.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.095 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.826 ' HA ' HD23 ' A' ' 108' ' ' LEU . 16.0 mm-40 -49.36 -29.24 5.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.896 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 3.0 t -69.29 -55.6 14.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.145 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.689 HG13 HD13 ' A' ' 66' ' ' ILE . 7.0 p -66.52 -25.14 34.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.07 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.884 HD21 ' HA ' ' A' ' 115' ' ' THR . 0.1 OUTLIER -74.39 -39.29 62.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.932 179.939 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 109' ' ' GLN . . . . . 0.406 ' N ' ' HG ' ' A' ' 108' ' ' LEU . 21.4 mt-30 -66.55 -40.85 89.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.958 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 44.3 mt-30 -64.41 -14.83 58.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 68.5 m -95.53 -59.66 1.83 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.22 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -104.47 -42.59 5.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.933 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 110.97 -14.39 28.9 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.468 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.592 ' O ' HD11 ' A' ' 108' ' ' LEU . 23.1 m -94.32 -172.65 2.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.902 0.382 . . . . 0.0 110.9 -179.731 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 115' ' ' THR . . . . . 0.884 ' HA ' HD21 ' A' ' 108' ' ' LEU . 69.9 p -152.58 -177.91 6.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.112 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.798 HD22 HG21 ' A' ' 78' ' ' ILE . 0.1 OUTLIER -90.36 155.88 18.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.966 179.924 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.09 95.65 6.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.873 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.483 HG11 ' HZ ' ' A' ' 97' ' ' PHE . 4.1 m -118.73 92.23 2.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.146 179.848 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.223 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 207' ' ' LYS . . . . . . . . . . . . . 8.9 tptm . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.802 0.334 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 208' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -179.37 140.9 0.16 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.819 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 209' ' ' PHE . . . . . 0.665 ' CD1' HD11 ' A' ' 47' ' ' ILE . 83.7 t80 -55.99 -47.32 77.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.874 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 210' ' ' PHE . . . . . . . . . . . . . 38.2 m-85 -61.63 -28.42 69.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.858 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 211' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -72.83 -43.17 62.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.89 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 212' ' ' LYS . . . . . . . . . . . . . 8.1 ptpp? -77.48 -21.52 52.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.83 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 213' ' ' LYS . . . . . . . . . . . . . 5.2 tppt? -87.34 -49.71 7.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.876 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 214' ' ' ARG . . . . . 0.407 ' HB3' ' HB1' ' A' ' 28' ' ' ALA . 8.1 ptm180 -53.34 -33.96 55.59 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 215' ' ' SER . . . . . 0.774 ' HA ' HD12 ' B' ' 218' ' ' ILE . 0.2 OUTLIER -55.22 -55.83 26.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.845 -179.831 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 216' ' ' GLU . . . . . . . . . . . . . 76.5 mt-10 -62.6 -30.86 71.65 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.854 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 217' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.95 -42.39 81.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.825 -179.874 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 218' ' ' ILE . . . . . 0.774 HD12 ' HA ' ' B' ' 215' ' ' SER . 7.2 mt -56.57 -33.42 39.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.107 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 219' ' ' SER . . . . . . . . . . . . . 47.7 t -81.77 144.3 31.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.831 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 220' ' ' ASN . . . . . . . . . . . . . 28.7 m-20 . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.871 179.994 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.083 0 CA-C-O 120.788 0.328 . . . . 0.0 111.149 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.594 ' HB1' ' HD2' ' A' ' 25' ' ' PRO . . . -119.33 160.41 41.66 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.577 0.703 . . . . 0.0 111.142 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.594 ' HD2' ' HB1' ' A' ' 24' ' ' ALA . 53.9 Cg_endo -69.72 83.72 0.68 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.716 2.277 . . . . 0.0 112.341 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.536 ' CG ' HG22 ' A' ' 31' ' ' VAL . 2.9 m-20 -120.58 135.74 55.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.896 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.43 HD13 ' HB2' ' A' ' 61' ' ' TYR . 13.6 tp -103.52 117.36 34.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.928 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.796 ' HB3' HD13 ' A' ' 39' ' ' LEU . . . 53.84 35.81 22.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.102 179.803 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 82.14 12.9 80.18 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.517 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.46 ' HB1' ' HB3' ' A' ' 35' ' ' ASP . . . -108.44 113.61 26.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.801 0.334 . . . . 0.0 111.062 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.536 HG22 ' CG ' ' A' ' 26' ' ' ASN . 20.3 t -92.34 -40.44 12.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.199 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.469 ' O ' HG23 ' A' ' 36' ' ' VAL . 5.4 mm-40 -70.02 134.7 48.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.893 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 29.7 t80 -52.43 -53.07 50.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.882 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 74.9 p -50.31 -32.5 17.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.46 ' HB3' ' HB1' ' A' ' 30' ' ' ALA . 2.6 t0 -80.27 -35.39 36.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.833 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.469 HG23 ' O ' ' A' ' 32' ' ' GLU . 88.5 t -64.81 -57.36 11.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.111 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.711 ' HA ' HD12 ' A' ' 40' ' ' LEU . 7.5 pttt -53.28 -30.41 38.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.913 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 88.2 m -62.66 -39.6 94.44 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.134 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.796 HD13 ' HB3' ' A' ' 28' ' ' ALA . 12.7 mt -68.45 -38.77 81.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.907 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.711 HD12 ' HA ' ' A' ' 37' ' ' LYS . 8.6 mt -68.15 -46.47 70.7 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.923 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.679 ' HA ' HD13 ' A' ' 84' ' ' LEU . 15.5 ttpt -53.16 -45.14 68.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.893 179.855 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.794 ' O ' HG22 ' A' ' 46' ' ' THR . 15.4 pt-20 -77.31 -39.78 46.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.953 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.503 ' HD1' HD13 ' A' ' 47' ' ' ILE . 35.1 t90 -63.92 -14.13 51.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.893 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.459 HG22 ' O ' ' A' ' 44' ' ' ILE . 34.5 mt -104.14 -13.34 8.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.086 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.618 HG23 ' O ' ' A' ' 41' ' ' LYS . 80.5 p -103.04 -55.45 2.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.121 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.794 HG22 ' O ' ' A' ' 42' ' ' GLU . 12.7 t -69.79 -19.03 63.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.196 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.503 HD13 ' HD1' ' A' ' 43' ' ' TRP . 3.5 mt -127.11 125.93 67.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.149 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.2 p -107.19 -24.24 11.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.82 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -118.91 82.0 20.32 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.568 0.699 . . . . 0.0 110.853 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.86 154.24 67.55 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.634 2.223 . . . . 0.0 112.298 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 15.8 ttp -92.45 155.05 18.11 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.897 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -51.53 -39.68 58.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.912 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 29.5 mm-40 -68.69 -44.36 74.14 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.93 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -55.54 -51.24 67.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.879 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 56.5 mt -63.13 -30.93 50.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.09 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 5.2 mt -67.23 -37.22 83.22 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.908 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 43.2 mm-40 -54.04 -33.68 57.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 10.7 t -70.43 -34.6 58.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.153 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.486 HG22 ' HA ' ' A' ' 100' ' ' ILE . 93.1 t -63.76 -47.87 89.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.103 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -62.01 -30.33 70.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.866 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.463 ' OH ' HG21 ' A' ' 36' ' ' VAL . 67.3 t80 -72.28 -50.34 27.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.913 -179.828 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 46.4 m -67.56 -46.75 71.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.895 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.775 HG22 HG11 ' A' ' 107' ' ' VAL . 36.4 p -54.44 -28.36 43.66 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.119 -179.837 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 48.5 m-20 -73.71 -37.62 65.1 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.815 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.836 HD23 ' HB2' ' A' ' 74' ' ' LEU . 1.0 OUTLIER -54.15 -30.91 50.93 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 -179.96 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.615 HD13 HG13 ' A' ' 107' ' ' VAL . 5.3 mt -67.14 -49.41 73.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.117 179.845 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -73.21 -26.73 61.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.869 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -88.45 -10.88 47.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.4 mmmt 64.02 43.38 5.21 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.884 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 58.4 m-20 -115.12 35.61 4.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.826 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 22.3 mt -57.37 -18.2 16.35 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.874 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -49.96 -54.58 18.95 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.665 ' HA ' HD12 ' A' ' 76' ' ' LEU . 0.0 OUTLIER -78.79 -22.74 45.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.905 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.836 ' HB2' HD23 ' A' ' 65' ' ' LEU . 37.5 tp -54.09 -58.37 7.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.887 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -57.84 -26.84 62.59 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.838 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.665 HD12 ' HA ' ' A' ' 73' ' ' LYS . 61.4 mt -76.48 -42.8 42.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.482 HG13 ' CD1' ' A' ' 40' ' ' LEU . 93.7 t -70.74 -43.15 77.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.131 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.841 HG21 HD22 ' A' ' 116' ' ' LEU . 30.9 mm -56.4 -57.66 8.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.119 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.97 -36.28 82.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.955 179.828 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.575 ' CE1' HD11 ' A' ' 84' ' ' LEU . 56.2 t80 -62.59 -50.91 69.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.904 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.476 ' HE1' HD13 ' A' ' 78' ' ' ILE . 8.9 ptp -67.69 -26.67 66.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.924 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.6 -58.58 6.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 3.6 ptm180 -52.12 -28.35 17.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.907 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.679 HD13 ' HA ' ' A' ' 41' ' ' LYS . 46.3 mt -81.55 -54.49 5.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 22.1 mtt -58.62 -30.08 66.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.879 179.792 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 21.0 mm-40 -78.94 -53.92 6.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.949 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -66.02 -15.51 63.09 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.93 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -53.46 172.68 0.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 -179.758 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 3.2 p -96.36 -32.82 4.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.191 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.767 ' HB3' HG12 ' A' ' 92' ' ' VAL . 16.3 mm-40 -85.89 112.84 21.53 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.85 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.1 t -57.51 -25.33 59.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.795 -179.767 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.767 HG12 ' HB3' ' A' ' 90' ' ' GLU . 9.3 p -54.24 -27.07 16.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.155 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 13.1 m95 -64.37 -37.74 88.57 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.932 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 6.3 m-80 -55.74 -39.2 70.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.881 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 21.9 mtm -72.48 -38.85 68.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -53.33 -43.47 67.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.013 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.653 ' CZ ' HD11 ' A' ' 101' ' ' LEU . 38.1 t80 -56.63 -49.56 74.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.945 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -63.19 -36.21 82.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.849 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 24.1 t80 -59.95 -46.13 90.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.865 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.486 ' HA ' HG22 ' A' ' 59' ' ' VAL . 19.0 mt -67.45 -38.37 80.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.143 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.653 HD11 ' CZ ' ' A' ' 97' ' ' PHE . 21.8 mt -69.87 -34.31 73.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.961 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -59.86 -26.79 66.13 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 179.8 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 39.1 m-80 -97.68 -40.6 8.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.88 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.42 HG23 ' O ' ' A' ' 100' ' ' ILE . 77.8 t -71.61 -58.88 4.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.115 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.817 ' HA ' HD23 ' A' ' 108' ' ' LEU . 13.8 mm-40 -49.0 -29.39 4.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.944 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 6.1 t -71.23 -56.45 10.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.171 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.775 HG11 HG22 ' A' ' 63' ' ' THR . 5.8 p -64.79 -25.78 38.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.167 179.818 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.856 HD21 ' HA ' ' A' ' 115' ' ' THR . 0.1 OUTLIER -74.41 -38.61 63.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.929 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -67.27 -40.89 86.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.93 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 51.2 mt-30 -63.92 -14.97 57.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.929 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 57.1 m -95.93 -60.92 1.54 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.072 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' TYR . . . . . 0.431 ' CE2' HG23 ' A' ' 66' ' ' ILE . 10.2 m-85 -101.89 -42.74 6.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.917 -179.888 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 111.59 -14.53 27.3 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.56 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.571 ' O ' HD11 ' A' ' 108' ' ' LEU . 1.1 t -94.0 -176.09 3.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.938 0.399 . . . . 0.0 110.867 -179.752 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 115' ' ' THR . . . . . 0.856 ' HA ' HD21 ' A' ' 108' ' ' LEU . 71.8 p -152.34 -177.85 6.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.169 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.841 HD22 HG21 ' A' ' 78' ' ' ILE . 0.1 OUTLIER -97.71 144.54 27.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.08 97.61 10.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.953 179.793 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.42 HG23 ' O ' ' A' ' 118' ' ' VAL . 6.1 m -117.2 107.77 23.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.169 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 14.5 t . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.14 -179.963 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 207' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.842 0.353 . . . . 0.0 110.937 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 208' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -84.39 121.94 28.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.853 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 209' ' ' PHE . . . . . 0.408 ' CD1' HD11 ' A' ' 47' ' ' ILE . 41.0 t80 -51.95 -45.48 64.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.856 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 210' ' ' PHE . . . . . . . . . . . . . 64.7 m-85 -59.75 -27.36 66.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.847 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 211' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -73.18 -44.37 59.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.899 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 212' ' ' LYS . . . . . . . . . . . . . 5.4 pttt -78.0 -18.24 56.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.866 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 213' ' ' LYS . . . . . 0.688 ' CE ' HD22 ' A' ' 39' ' ' LEU . 0.0 OUTLIER -90.64 -41.49 11.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.858 179.911 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 214' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -62.4 -24.69 67.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.855 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 215' ' ' SER . . . . . 0.429 ' HA ' HD12 ' B' ' 218' ' ' ILE . 1.0 OUTLIER -79.26 -55.64 4.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.816 -179.75 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 216' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -53.52 -46.18 70.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.936 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 217' ' ' ARG . . . . . . . . . . . . . 4.7 ptm180 -51.72 -29.99 20.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.819 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 218' ' ' ILE . . . . . 0.429 HD12 ' HA ' ' B' ' 215' ' ' SER . 44.9 mt -77.43 -35.33 21.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.106 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 219' ' ' SER . . . . . . . . . . . . . 93.6 p -93.79 50.18 1.42 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.864 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 220' ' ' ASN . . . . . . . . . . . . . 10.7 p-10 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.895 -179.967 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.866 0.365 . . . . 0.0 111.125 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.583 ' HB1' ' HD2' ' A' ' 25' ' ' PRO . . . -103.9 160.14 27.06 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.563 0.697 . . . . 0.0 111.106 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.583 ' HD2' ' HB1' ' A' ' 24' ' ' ALA . 54.1 Cg_endo -69.75 94.5 0.53 Allowed 'Trans proline' 0 C--N 1.34 0.118 0 C-N-CA 122.74 2.293 . . . . 0.0 112.339 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -124.77 142.16 51.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.9 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.422 HD21 HD21 ' A' ' 40' ' ' LEU . 1.6 tp -102.18 113.39 26.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.915 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 55.87 26.73 10.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.148 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 95.03 13.04 54.37 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.54 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.544 ' HB2' HD11 ' A' ' 39' ' ' LEU . . . -104.92 118.58 36.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.823 0.344 . . . . 0.0 111.12 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 21.7 t -94.17 -44.27 13.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.077 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.655 ' O ' HG23 ' A' ' 36' ' ' VAL . 16.4 mm-40 -66.47 139.88 57.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.893 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 44.4 t80 -57.72 -50.35 73.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.913 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -51.84 -37.53 52.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.792 -179.822 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -74.24 -29.43 61.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.911 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.655 HG23 ' O ' ' A' ' 32' ' ' GLU . 94.3 t -71.68 -56.84 8.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.108 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.516 ' HA ' HD12 ' A' ' 40' ' ' LEU . 6.2 pttt -56.95 -31.49 65.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 54.8 m -67.09 -40.29 86.94 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.175 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.544 HD11 ' HB2' ' A' ' 30' ' ' ALA . 14.5 mt -69.38 -34.62 74.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.516 HD12 ' HA ' ' A' ' 37' ' ' LYS . 15.0 mt -72.19 -47.31 51.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.986 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.722 ' HA ' HD13 ' A' ' 84' ' ' LEU . 13.1 ttpt -52.66 -42.4 64.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 179.798 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.768 ' O ' HG22 ' A' ' 46' ' ' THR . 12.4 pt-20 -77.5 -41.94 37.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.879 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.481 ' HD1' HD13 ' A' ' 47' ' ' ILE . 39.1 t90 -63.37 -15.6 57.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.876 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.454 HG22 ' O ' ' A' ' 44' ' ' ILE . 37.6 mt -101.47 -13.24 8.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.155 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.585 HG23 ' O ' ' A' ' 41' ' ' LYS . 74.0 p -104.06 -55.76 2.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.144 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.768 HG22 ' O ' ' A' ' 42' ' ' GLU . 13.4 t -66.01 -16.94 64.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.092 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.542 HD11 ' CD1' ' B' ' 209' ' ' PHE . 3.3 mt -127.97 127.55 68.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.135 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 37.5 m -106.95 -24.46 12.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.836 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -116.03 81.15 9.78 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.562 0.696 . . . . 0.0 110.864 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 147.27 62.7 Favored 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.747 2.298 . . . . 0.0 112.328 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 10.2 ttp -91.93 155.12 18.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.86 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -52.47 -39.7 61.44 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.898 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -66.36 -45.0 81.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.894 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -57.28 -49.1 77.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.888 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 50.1 mt -66.2 -30.79 51.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.078 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' A' ' 56' ' ' LEU . 8.9 mt -63.51 -40.73 97.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.851 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 7.5 mm-40 -54.3 -32.64 56.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.917 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 15.3 t -70.85 -34.88 57.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.076 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.619 HG22 ' HA ' ' A' ' 100' ' ' ILE . 95.4 t -65.39 -51.59 62.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.141 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 16.7 mmt180 -60.89 -25.25 66.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.819 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 67.5 t80 -75.62 -51.86 11.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 -179.769 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 62.2 m -68.62 -45.71 71.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.913 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.56 HG22 ' HA ' ' A' ' 104' ' ' VAL . 52.9 p -56.28 -25.55 48.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.177 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 46.6 m-20 -73.53 -37.64 65.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.862 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.605 HD23 ' HB2' ' A' ' 74' ' ' LEU . 1.6 mp -54.63 -32.98 59.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.892 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.643 HD13 HG13 ' A' ' 107' ' ' VAL . 3.0 mt -64.58 -43.66 96.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.108 179.874 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -74.23 -35.5 63.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.901 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 59.1 mm-40 -83.03 -8.77 59.51 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.926 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 27.0 mmtt 64.91 39.71 5.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.887 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -111.02 36.86 3.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.923 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 24.7 mt -53.82 -23.22 11.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.919 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -50.36 -48.84 55.55 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.871 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.737 ' HA ' HD12 ' A' ' 76' ' ' LEU . 1.9 mtpp -78.75 -22.59 46.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.907 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.605 ' HB2' HD23 ' A' ' 65' ' ' LEU . 24.3 tp -57.86 -57.46 12.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.864 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.549 ' HA ' HD21 ' A' ' 116' ' ' LEU . 2.9 t0 -57.33 -26.88 61.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.831 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.737 HD12 ' HA ' ' A' ' 73' ' ' LYS . 42.8 mt -76.96 -49.57 15.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.886 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.596 HG12 ' CE ' ' A' ' 81' ' ' MET . 91.3 t -67.73 -36.13 74.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.111 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.81 HG21 HD22 ' A' ' 116' ' ' LEU . 30.2 mm -69.15 -53.89 23.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.17 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.462 ' HA ' ' HG2' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -63.83 -25.37 68.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.873 179.809 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.686 ' CE1' HD11 ' A' ' 84' ' ' LEU . 37.2 t80 -80.93 -43.38 19.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.875 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.596 ' CE ' HG12 ' A' ' 77' ' ' VAL . 14.1 ptp -74.35 -32.35 62.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.866 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.462 ' HG2' ' HA ' ' A' ' 79' ' ' LYS . 0.0 OUTLIER -71.13 -31.93 68.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.91 179.955 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 2.4 ptm180 -71.11 -29.03 64.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.868 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.722 HD13 ' HA ' ' A' ' 41' ' ' LYS . 15.4 mt -82.44 -54.92 4.82 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.925 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 29.4 mtt -55.65 -29.93 60.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.861 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 58.5 mt-30 -77.26 -55.18 5.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.948 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -64.73 -15.49 61.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.917 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 24.6 p -51.91 161.69 0.54 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.851 -179.751 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 2.3 m -83.71 -25.97 7.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.146 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.41 ' HB3' HG22 ' A' ' 92' ' ' VAL . 3.6 mm-40 -94.21 125.31 38.77 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.93 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 36.5 p -67.94 -24.42 65.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.855 -179.762 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.41 HG22 ' HB3' ' A' ' 90' ' ' GLU . 34.2 m -57.47 -22.85 18.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.097 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 7.6 m95 -72.43 -34.4 67.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -57.77 -38.03 74.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.931 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 18.5 mtm -72.63 -38.75 67.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.898 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -53.18 -38.71 63.07 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.109 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.774 ' CZ ' HD11 ' A' ' 101' ' ' LEU . 25.9 t80 -64.56 -45.84 85.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.946 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 24.3 t0 -61.96 -36.53 81.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.942 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 33.1 t80 -56.38 -49.04 75.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.881 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.619 ' HA ' HG22 ' A' ' 59' ' ' VAL . 6.0 mt -62.7 -42.87 97.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.128 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.774 HD11 ' CZ ' ' A' ' 97' ' ' PHE . 35.5 mt -66.53 -31.49 72.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.977 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -60.92 -31.34 70.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.943 179.785 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 8.2 m-80 -98.09 -32.67 11.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.858 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.56 ' HA ' HG22 ' A' ' 63' ' ' THR . 83.8 t -77.11 -61.54 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.171 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.819 ' HA ' HD23 ' A' ' 108' ' ' LEU . 17.6 mm-40 -49.52 -29.94 7.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.886 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 3.8 t -71.22 -52.93 23.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.138 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.643 HG13 HD13 ' A' ' 66' ' ' ILE . 9.4 p -68.38 -26.02 32.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.091 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.869 HD21 ' HA ' ' A' ' 115' ' ' THR . 0.1 OUTLIER -73.65 -38.47 64.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 109' ' ' GLN . . . . . 0.406 ' N ' ' HG ' ' A' ' 108' ' ' LEU . 27.2 mt-30 -66.32 -41.1 90.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.944 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -64.31 -14.87 58.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.949 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 68.8 m -95.61 -59.52 1.85 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.183 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' TYR . . . . . 0.421 ' CE1' HG23 ' A' ' 66' ' ' ILE . 11.7 m-85 -104.08 -42.86 5.42 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.909 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 111.5 -14.52 27.55 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.521 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.589 ' O ' HD11 ' A' ' 108' ' ' LEU . 74.8 p -94.37 -174.22 3.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.911 0.386 . . . . 0.0 110.84 -179.664 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 115' ' ' THR . . . . . 0.869 ' HA ' HD21 ' A' ' 108' ' ' LEU . 66.5 p -152.7 -178.0 6.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.075 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.81 HD22 HG21 ' A' ' 78' ' ' ILE . 0.1 OUTLIER -95.91 153.19 17.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.951 179.934 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.43 100.68 10.25 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.422 HG11 ' HZ ' ' A' ' 97' ' ' PHE . 4.2 m -118.59 95.5 3.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.128 179.807 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.114 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 207' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.833 0.349 . . . . 0.0 110.837 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 208' ' ' SER . . . . . . . . . . . . . 1.1 t -80.24 113.63 18.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.85 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 209' ' ' PHE . . . . . 0.542 ' CD1' HD11 ' A' ' 47' ' ' ILE . 76.0 t80 -53.0 -37.7 61.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.85 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 210' ' ' PHE . . . . . . . . . . . . . 31.8 m-85 -67.54 -29.19 68.52 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.827 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 211' ' ' ASP . . . . . . . . . . . . . 29.7 m-20 -75.73 -43.5 46.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.879 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 212' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -77.47 -20.01 55.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.847 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 213' ' ' LYS . . . . . . . . . . . . . 11.5 tptt -86.38 -46.41 10.28 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.869 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 214' ' ' ARG . . . . . . . . . . . . . 26.1 ptt85 -55.59 -27.63 50.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 215' ' ' SER . . . . . . . . . . . . . 12.8 t -76.65 -26.39 54.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 216' ' ' GLU . . . . . . . . . . . . . 51.0 mm-40 -65.94 -56.88 9.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.922 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 217' ' ' ARG . . . . . 0.512 HH22 HD21 ' A' ' 39' ' ' LEU . 3.7 ptp85 -54.06 -36.64 63.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.897 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 218' ' ' ILE . . . . . . . . . . . . . 54.9 mt -70.28 -25.15 26.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.178 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 219' ' ' SER . . . . . . . . . . . . . 5.1 p -109.81 -175.92 2.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.834 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 220' ' ' ASN . . . . . . . . . . . . . 52.5 t30 . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.894 -179.975 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.825 0.345 . . . . 0.0 111.131 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.569 ' HB1' ' HD2' ' A' ' 25' ' ' PRO . . . -106.03 160.32 26.56 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.57 0.7 . . . . 0.0 111.073 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.569 ' HD2' ' HB1' ' A' ' 24' ' ' ALA . 53.5 Cg_endo -69.77 93.87 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.701 2.267 . . . . 0.0 112.363 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.437 ' OD1' HG22 ' A' ' 31' ' ' VAL . 3.1 m-20 -124.51 135.08 52.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.875 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.455 HD21 HD21 ' A' ' 40' ' ' LEU . 19.0 tp -105.39 108.9 20.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.93 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 58.82 28.7 17.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.12 179.79 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 95.13 4.66 61.17 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.472 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.49 ' HB2' HD11 ' A' ' 39' ' ' LEU . . . -100.68 115.91 31.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.794 0.33 . . . . 0.0 111.123 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.437 HG22 ' OD1' ' A' ' 26' ' ' ASN . 21.8 t -93.39 -38.04 9.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.14 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.621 ' O ' HG23 ' A' ' 36' ' ' VAL . 67.7 mt-10 -71.76 141.35 49.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.892 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 35.3 t80 -56.12 -51.45 67.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.897 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 10.9 p -51.61 -37.4 49.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.843 -179.783 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 81.5 m-20 -74.01 -29.58 62.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.797 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.621 HG23 ' O ' ' A' ' 32' ' ' GLU . 97.8 t -72.15 -56.24 10.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.165 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.771 ' HA ' HD12 ' A' ' 40' ' ' LEU . 2.7 ptmt -57.16 -34.16 68.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.879 179.859 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 53.1 m -65.53 -37.7 87.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.169 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.49 HD11 ' HB2' ' A' ' 30' ' ' ALA . 30.8 mt -70.52 -35.66 73.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.924 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.771 HD12 ' HA ' ' A' ' 37' ' ' LYS . 5.4 mt -71.91 -46.96 55.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.656 ' HA ' HD13 ' A' ' 84' ' ' LEU . 6.3 ttpt -52.94 -42.8 65.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.952 179.85 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.787 ' O ' HG22 ' A' ' 46' ' ' THR . 25.2 pt-20 -76.86 -42.31 40.53 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.942 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.503 ' HD1' HD13 ' A' ' 47' ' ' ILE . 34.9 t90 -63.53 -14.85 55.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.919 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.435 HG22 ' O ' ' A' ' 44' ' ' ILE . 41.1 mt -102.24 -14.64 8.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.118 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.585 HG23 ' O ' ' A' ' 41' ' ' LYS . 76.5 p -102.48 -56.24 2.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.132 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.787 HG22 ' O ' ' A' ' 42' ' ' GLU . 12.8 t -65.6 -16.48 63.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.179 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.503 HD13 ' HD1' ' A' ' 43' ' ' TRP . 3.4 mt -128.18 130.31 69.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.102 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 9.0 m -106.61 -24.5 12.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.836 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -115.53 80.43 8.03 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.578 0.704 . . . . 0.0 110.899 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 139.93 41.45 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.678 2.252 . . . . 0.0 112.287 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 65.6 mtm -85.55 159.8 19.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.856 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -57.39 -59.92 4.42 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.902 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -51.84 -46.24 64.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.885 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -55.07 -38.81 68.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.855 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.596 ' O ' HG22 ' A' ' 58' ' ' VAL . 20.1 mt -72.79 -49.93 36.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.147 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.409 HD13 ' HA ' ' A' ' 56' ' ' LEU . 4.3 mm? -49.79 -28.29 6.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.94 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 22.1 mt-30 -55.91 -36.92 68.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.866 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.596 HG22 ' O ' ' A' ' 55' ' ' ILE . 2.1 m -73.27 -31.0 32.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.114 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.622 HG22 HG23 ' A' ' 100' ' ' ILE . 87.2 t -59.1 -52.1 64.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.172 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 23.2 mmm180 -58.34 -29.15 65.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.901 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.573 ' CE2' HG11 ' A' ' 36' ' ' VAL . 56.5 t80 -71.55 -54.82 9.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 -179.874 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 44.1 m -65.0 -47.3 78.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.882 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.605 HG22 ' HA ' ' A' ' 104' ' ' VAL . 49.4 p -57.23 -26.41 60.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.157 -179.874 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -73.34 -37.82 65.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.832 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.402 HD23 ' HB2' ' A' ' 74' ' ' LEU . 1.8 mp -54.34 -34.59 61.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.964 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.636 HD13 HG13 ' A' ' 107' ' ' VAL . 3.1 mt -62.53 -44.34 99.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.154 179.864 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 38.4 mm-40 -73.99 -35.11 64.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.93 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 60.3 mm-40 -82.87 -7.34 59.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.868 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 4.0 mmmm 63.95 38.5 8.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.909 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -111.29 37.19 2.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.873 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.541 HD11 ' CZ ' ' A' ' 112' ' ' TYR . 22.1 mt -53.96 -23.39 12.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.933 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -50.34 -46.18 55.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.936 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.771 ' HA ' HD12 ' A' ' 76' ' ' LEU . 14.0 mtpt -79.0 -22.86 44.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.921 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.402 ' HB2' HD23 ' A' ' 65' ' ' LEU . 23.4 tp -57.36 -61.91 2.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.411 ' HA ' HD21 ' A' ' 116' ' ' LEU . 0.7 OUTLIER -54.21 -26.76 30.19 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.874 179.794 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.771 HD12 ' HA ' ' A' ' 73' ' ' LYS . 53.7 mt -76.66 -45.95 27.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.983 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.475 HG23 ' O ' ' A' ' 73' ' ' LYS . 86.5 t -69.8 -38.98 77.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.071 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.711 HG21 HD22 ' A' ' 116' ' ' LEU . 34.8 mm -63.92 -57.47 11.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.187 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.68 -32.26 71.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.882 179.805 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.661 ' CE1' HD11 ' A' ' 84' ' ' LEU . 57.5 t80 -68.43 -53.46 23.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.949 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.602 ' HA ' HD12 ' A' ' 84' ' ' LEU . 11.4 ptp -65.77 -27.38 68.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 179.847 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.76 -57.61 11.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.88 -27.18 28.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.856 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.661 HD11 ' CE1' ' A' ' 80' ' ' TYR . 26.7 mt -80.99 -54.72 5.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.982 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 27.7 mtt -60.83 -29.13 69.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.842 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 21.3 mm-40 -78.22 -50.67 11.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.871 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -67.47 -15.12 63.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.904 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 37.3 p -51.94 152.65 2.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.826 -179.755 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 2.6 m -76.71 -26.02 16.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.123 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 32.3 mm-40 -98.94 131.68 44.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 2.2 t -71.77 -18.92 62.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.875 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 13.7 p -56.4 -24.4 18.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.133 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 46.8 m95 -71.94 -34.28 68.91 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.901 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -59.62 -37.09 77.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.858 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 15.1 mtm -72.33 -39.84 67.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.861 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -53.84 -44.29 70.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.076 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.648 ' CZ ' HD11 ' A' ' 101' ' ' LEU . 45.2 t80 -55.25 -55.06 35.69 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 19.5 t0 -57.3 -41.33 79.64 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.856 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 52.3 t80 -54.61 -47.97 72.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.895 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.622 HG23 HG22 ' A' ' 59' ' ' VAL . 11.2 mt -62.81 -46.13 97.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.158 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.648 HD11 ' CZ ' ' A' ' 97' ' ' PHE . 34.8 mt -62.22 -27.57 69.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.879 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.28 -30.39 71.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.851 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -97.41 -33.03 11.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.852 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.605 ' HA ' HG22 ' A' ' 63' ' ' THR . 79.1 t -77.03 -60.55 2.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.154 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.833 ' HA ' HD23 ' A' ' 108' ' ' LEU . 17.0 mm-40 -49.55 -29.9 7.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.907 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 4.6 t -71.01 -54.43 17.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.182 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.636 HG13 HD13 ' A' ' 66' ' ' ILE . 7.4 p -66.91 -25.91 35.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.173 179.875 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.845 HD21 ' HA ' ' A' ' 115' ' ' THR . 0.1 OUTLIER -73.9 -39.07 64.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.968 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 109' ' ' GLN . . . . . 0.406 ' N ' ' HG ' ' A' ' 108' ' ' LEU . 16.5 mt-30 -66.09 -41.31 90.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.909 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -63.9 -15.11 58.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.93 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 59.8 m -95.53 -60.67 1.61 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.165 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' TYR . . . . . 0.541 ' CZ ' HD11 ' A' ' 71' ' ' LEU . 8.8 m-85 -102.35 -42.86 5.86 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 111.59 -14.61 27.29 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.528 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.589 ' O ' HD11 ' A' ' 108' ' ' LEU . 49.3 m -94.79 -173.73 3.08 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.883 0.373 . . . . 0.0 110.879 -179.704 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 115' ' ' THR . . . . . 0.845 ' HA ' HD21 ' A' ' 108' ' ' LEU . 67.3 p -152.6 176.55 11.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.127 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.711 HD22 HG21 ' A' ' 78' ' ' ILE . 0.1 OUTLIER -89.6 149.53 22.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.901 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.64 95.92 10.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.861 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.419 HG11 ' HZ ' ' A' ' 97' ' ' PHE . 4.1 m -119.01 93.14 2.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.143 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.177 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 207' ' ' LYS . . . . . . . . . . . . . 1.1 tmmm? . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.775 0.321 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 208' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -176.24 137.4 0.3 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.787 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 209' ' ' PHE . . . . . 0.436 ' CD1' HD11 ' A' ' 47' ' ' ILE . 74.8 t80 -54.99 -45.04 75.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.873 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 210' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -63.24 -28.61 70.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.857 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 211' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -71.64 -46.95 57.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.851 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 212' ' ' LYS . . . . . . . . . . . . . 10.4 ptmm? -71.58 -23.77 61.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.929 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 213' ' ' LYS . . . . . . . . . . . . . 4.9 tppt? -82.47 -45.21 15.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.918 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 214' ' ' ARG . . . . . . . . . . . . . 4.7 ptm180 -64.67 -30.76 71.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.826 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 215' ' ' SER . . . . . . . . . . . . . 22.2 t -70.26 -25.68 63.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.808 -179.722 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 216' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -56.49 -57.3 12.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.906 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 217' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.93 -39.84 83.41 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.864 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 218' ' ' ILE . . . . . . . . . . . . . 59.3 mt -63.59 -23.72 34.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.13 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 219' ' ' SER . . . . . . . . . . . . . 40.9 t -92.59 139.15 30.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.889 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 220' ' ' ASN . . . . . . . . . . . . . 39.4 m-80 . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.885 -179.986 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.091 0 CA-C-O 120.821 0.344 . . . . 0.0 111.065 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.57 ' HB1' ' HD2' ' A' ' 25' ' ' PRO . . . -120.37 159.83 46.17 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.63 0.729 . . . . 0.0 111.072 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.57 ' HD2' ' HB1' ' A' ' 24' ' ' ALA . 53.8 Cg_endo -69.73 96.11 0.58 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.67 2.247 . . . . 0.0 112.378 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -125.17 143.44 50.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.893 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.544 HD21 HD21 ' A' ' 40' ' ' LEU . 12.7 tp -104.33 111.95 24.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.925 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 54.76 28.52 10.34 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.061 179.754 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 95.12 12.99 54.22 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.758 -0.735 . . . . 0.0 112.563 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.59 ' HB2' HD11 ' A' ' 39' ' ' LEU . . . -105.86 115.76 30.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.843 0.354 . . . . 0.0 111.05 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 30.2 t -91.88 -45.71 14.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.145 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.736 ' O ' HG23 ' A' ' 36' ' ' VAL . 5.4 mm-40 -68.44 146.03 53.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.936 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 37.3 t80 -59.5 -50.56 73.45 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.86 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 4.9 m -51.69 -37.81 52.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.836 -179.77 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 30.4 m-20 -72.64 -29.71 63.68 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.877 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.736 HG23 ' O ' ' A' ' 32' ' ' GLU . 46.7 t -71.97 -57.1 8.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.16 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.573 ' HA ' HD12 ' A' ' 40' ' ' LEU . 4.0 ptmt -56.16 -33.69 65.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.939 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 54.1 m -63.84 -40.94 97.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.152 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.59 HD11 ' HB2' ' A' ' 30' ' ' ALA . 14.3 mt -70.45 -34.0 71.95 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.956 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.573 HD12 ' HA ' ' A' ' 37' ' ' LYS . 15.4 mt -72.18 -46.84 54.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.896 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.715 ' HA ' HD13 ' A' ' 84' ' ' LEU . 8.6 ttpt -52.68 -42.69 64.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.971 179.751 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.779 ' O ' HG22 ' A' ' 46' ' ' THR . 12.3 pt-20 -77.39 -41.63 39.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.884 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.494 ' HD1' HD13 ' A' ' 47' ' ' ILE . 36.9 t90 -63.45 -15.37 57.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.934 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.445 HG22 ' O ' ' A' ' 44' ' ' ILE . 35.9 mt -101.87 -13.97 8.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.183 179.847 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.591 HG23 ' O ' ' A' ' 41' ' ' LYS . 70.3 p -103.15 -56.1 2.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.185 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.779 HG22 ' O ' ' A' ' 42' ' ' GLU . 13.2 t -65.1 -16.17 63.19 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.122 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.602 HD11 ' CD1' ' B' ' 209' ' ' PHE . 3.2 mt -127.42 130.69 70.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.093 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -107.2 -29.86 9.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.866 -179.881 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -112.69 81.36 4.26 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.617 0.722 . . . . 0.0 110.889 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 134.88 28.99 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.74 2.293 . . . . 0.0 112.335 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 20.0 mtp -82.07 150.64 27.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.844 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -52.35 -34.7 48.67 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -66.59 -50.06 64.3 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.874 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -58.01 -46.62 84.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.88 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 57.5 mt -63.87 -31.98 55.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.08 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.0 mt -63.08 -38.56 91.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.907 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 5.3 mm100 -54.02 -31.61 51.72 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.949 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 12.9 t -71.88 -35.26 54.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.121 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.55 HG22 ' HA ' ' A' ' 100' ' ' ILE . 88.2 t -65.58 -52.55 49.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.165 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 21.2 mmt85 -59.08 -25.63 63.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.904 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.466 ' OH ' HG21 ' A' ' 36' ' ' VAL . 75.0 t80 -75.45 -52.15 11.37 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.909 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 63.6 m -67.06 -45.99 75.69 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.824 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.738 HG22 HG11 ' A' ' 107' ' ' VAL . 35.3 p -53.3 -28.25 27.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.158 -179.827 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 35.4 m-20 -73.85 -38.24 64.54 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.884 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.804 HD23 ' HB2' ' A' ' 74' ' ' LEU . 1.0 OUTLIER -54.21 -31.82 54.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 -179.933 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.609 HD13 HG13 ' A' ' 107' ' ' VAL . 5.8 mt -66.32 -47.85 82.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.128 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -73.2 -29.27 62.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.893 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 37.7 mm-40 -86.88 -10.47 53.31 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.856 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 5.8 mmtm 64.31 42.7 5.15 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.852 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -114.57 36.41 3.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.919 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.475 HD11 ' CE2' ' A' ' 112' ' ' TYR . 22.5 mt -57.15 -18.41 15.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.925 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 47.1 tt0 -49.9 -54.32 20.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.915 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.792 ' HE2' HD11 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -78.83 -22.14 46.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.907 179.915 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.804 ' HB2' HD23 ' A' ' 65' ' ' LEU . 35.0 tp -55.19 -59.02 5.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.882 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.781 ' HA ' HD21 ' A' ' 116' ' ' LEU . 0.5 OUTLIER -55.44 -28.3 53.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.885 179.829 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.624 HD12 ' HA ' ' A' ' 73' ' ' LYS . 40.5 mt -76.4 -44.77 34.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.904 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.574 HG12 ' HE2' ' A' ' 81' ' ' MET . 86.9 t -70.19 -33.93 56.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.064 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.688 HG21 HD22 ' A' ' 116' ' ' LEU . 31.2 mm -69.82 -54.54 18.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.113 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.466 ' HA ' ' HG2' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -63.89 -25.0 67.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.86 179.866 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.659 ' CE1' HD11 ' A' ' 84' ' ' LEU . 37.3 t80 -80.72 -43.52 20.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.911 -179.877 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.574 ' HE2' HG12 ' A' ' 77' ' ' VAL . 13.4 ptp -74.67 -31.74 62.02 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.869 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.466 ' HG2' ' HA ' ' A' ' 79' ' ' LYS . 0.0 OUTLIER -71.47 -32.06 67.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.903 179.935 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 2.4 ptm180 -71.19 -29.73 65.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.822 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.715 HD13 ' HA ' ' A' ' 41' ' ' LYS . 18.5 mt -82.31 -51.59 7.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 34.9 mtt -59.1 -27.29 65.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.856 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 51.7 mt-30 -78.5 -48.31 15.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.943 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -73.53 -13.54 61.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.966 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 6.9 m -51.9 152.65 2.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.838 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.571 HG13 ' CD ' ' A' ' 90' ' ' GLU . 3.3 p -71.16 -32.78 48.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.104 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.571 ' CD ' HG13 ' A' ' 89' ' ' VAL . 45.1 mp0 -86.14 130.99 34.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.918 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 32.4 t -71.64 -27.7 63.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.874 -179.79 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.505 HG22 ' HB3' ' A' ' 90' ' ' GLU . 25.5 m -56.52 -29.48 29.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.124 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 11.6 m95 -59.88 -33.8 72.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.938 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 12.8 m-80 -58.56 -39.17 79.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.922 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 28.8 mtm -72.5 -36.89 68.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.875 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -53.09 -43.93 67.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.082 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.783 ' CZ ' HD11 ' A' ' 101' ' ' LEU . 23.0 t80 -60.34 -42.3 95.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.865 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -67.59 -34.6 77.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.888 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 31.7 t80 -58.27 -42.75 87.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.809 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.55 ' HA ' HG22 ' A' ' 59' ' ' VAL . 6.2 mt -70.83 -39.75 75.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.15 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.783 HD11 ' CZ ' ' A' ' 97' ' ' PHE . 22.9 mt -67.37 -35.69 79.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.841 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -60.03 -27.35 66.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.848 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 7.1 m-80 -98.33 -38.63 9.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' ' 100' ' ' ILE . 84.3 t -73.8 -59.51 3.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.134 179.878 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.826 ' HA ' HD23 ' A' ' 108' ' ' LEU . 13.6 mm-40 -48.92 -29.07 4.31 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.925 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 4.1 t -70.38 -56.99 9.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.179 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.738 HG11 HG22 ' A' ' 63' ' ' THR . 5.0 p -64.64 -25.58 38.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.125 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.882 HD21 ' HA ' ' A' ' 115' ' ' THR . 0.1 OUTLIER -74.05 -39.17 63.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.876 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 109' ' ' GLN . . . . . 0.406 ' N ' ' HG ' ' A' ' 108' ' ' LEU . 21.6 mt-30 -66.03 -41.32 91.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.955 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 43.9 mt-30 -63.66 -15.4 58.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.931 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 64.6 m -95.73 -59.76 1.79 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.19 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' TYR . . . . . 0.475 ' CE2' HD11 ' A' ' 71' ' ' LEU . 9.4 m-85 -103.34 -43.14 5.51 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.884 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 110.69 -14.42 29.62 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.522 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.583 ' O ' HD11 ' A' ' 108' ' ' LEU . 89.7 p -95.31 -172.85 2.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.952 0.406 . . . . 0.0 110.901 -179.81 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 115' ' ' THR . . . . . 0.882 ' HA ' HD21 ' A' ' 108' ' ' LEU . 72.4 p -152.29 -178.1 6.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.182 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.781 HD21 ' HA ' ' A' ' 75' ' ' ASP . 0.1 OUTLIER -93.12 155.56 17.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.941 179.946 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.87 95.24 6.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.892 179.837 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.619 HG11 ' HZ ' ' A' ' 97' ' ' PHE . 3.7 m -118.61 92.13 2.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.069 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.14 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 207' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.818 0.342 . . . . 0.0 110.958 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 208' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -179.37 159.13 0.9 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.916 -179.831 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 209' ' ' PHE . . . . . 0.602 ' CD1' HD11 ' A' ' 47' ' ' ILE . 74.8 t80 -76.06 -38.8 56.66 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 210' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 -66.28 -25.89 67.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.931 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 211' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -72.56 -44.94 61.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.859 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 212' ' ' LYS . . . . . . . . . . . . . 8.0 ptpp? -71.55 -25.0 62.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 213' ' ' LYS . . . . . 0.454 ' HG2' HD22 ' A' ' 39' ' ' LEU . 15.2 tppt? -79.74 -50.37 10.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.924 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 214' ' ' ARG . . . . . . . . . . . . . 21.8 ptt180 -55.08 -26.55 38.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.89 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 215' ' ' SER . . . . . 0.486 ' HA ' HD12 ' B' ' 218' ' ' ILE . 37.5 m -57.86 -26.7 62.44 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.856 -179.794 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 216' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -62.69 -38.41 90.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.925 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 217' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -77.2 -28.04 53.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.84 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 218' ' ' ILE . . . . . 0.486 HD12 ' HA ' ' B' ' 215' ' ' SER . 60.1 mt -75.37 -57.04 7.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.078 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 219' ' ' SER . . . . . . . . . . . . . 29.2 p -118.06 109.17 16.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.889 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 220' ' ' ASN . . . . . . . . . . . . . 40.0 p30 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.93 -179.987 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.773 0.32 . . . . 0.0 111.117 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.586 ' HB1' ' HD2' ' A' ' 25' ' ' PRO . . . -98.4 160.34 28.38 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.639 0.733 . . . . 0.0 111.023 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.586 ' HD2' ' HB1' ' A' ' 24' ' ' ALA . 54.2 Cg_endo -69.74 98.59 0.69 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.776 2.317 . . . . 0.0 112.341 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -125.94 144.24 50.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.869 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.491 HD21 HD21 ' A' ' 40' ' ' LEU . 15.4 tp -106.23 114.53 28.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.925 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 56.68 27.4 12.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.088 179.8 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 92.91 13.03 57.16 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.509 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.415 ' HB2' HD11 ' A' ' 39' ' ' LEU . . . -104.93 119.71 39.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.826 0.346 . . . . 0.0 111.058 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 28.1 t -93.57 -41.75 12.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.092 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.668 ' O ' HG23 ' A' ' 36' ' ' VAL . 55.7 mm-40 -69.58 145.64 52.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.879 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 42.8 t80 -61.15 -50.67 72.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.866 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.7 m -51.79 -37.51 51.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.831 -179.741 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -72.59 -29.45 63.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.668 HG23 ' O ' ' A' ' 32' ' ' GLU . 96.7 t -72.54 -57.2 7.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.087 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.558 ' HA ' HD12 ' A' ' 40' ' ' LEU . 3.9 ptmt -56.12 -35.34 66.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.882 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 55.4 m -62.94 -38.99 93.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.091 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.415 HD11 ' HB2' ' A' ' 30' ' ' ALA . 7.7 mt -70.45 -35.95 73.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.937 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.558 HD12 ' HA ' ' A' ' 37' ' ' LYS . 11.9 mt -71.99 -45.99 58.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.935 179.861 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.702 ' HA ' HD13 ' A' ' 84' ' ' LEU . 0.5 OUTLIER -52.65 -42.89 65.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.923 179.817 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.781 ' O ' HG22 ' A' ' 46' ' ' THR . 13.4 pt-20 -77.26 -41.96 38.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.904 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.501 ' HD1' HD13 ' A' ' 47' ' ' ILE . 35.3 t90 -63.06 -15.72 57.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.949 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.44 HG22 ' O ' ' A' ' 44' ' ' ILE . 39.2 mt -101.48 -14.21 8.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.091 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.585 HG23 ' O ' ' A' ' 41' ' ' LYS . 70.3 p -102.98 -55.91 2.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.176 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.781 HG22 ' O ' ' A' ' 42' ' ' GLU . 13.2 t -64.78 -16.91 63.68 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.13 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.597 HD11 ' CD1' ' B' ' 209' ' ' PHE . 3.2 mt -126.65 132.43 70.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.181 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 11.2 p -107.48 -32.92 7.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -110.86 81.59 2.65 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.614 0.721 . . . . 0.0 110.877 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.73 143.84 52.26 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.647 2.231 . . . . 0.0 112.339 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 63.8 mtm -92.01 156.19 17.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.87 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -52.09 -38.26 56.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.871 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 31.9 mm-40 -66.91 -45.8 76.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.869 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -57.53 -46.17 84.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.642 HG23 HD11 ' A' ' 100' ' ' ILE . 28.3 mt -72.39 -40.53 64.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.122 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.5 mt -54.78 -39.09 68.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 4.2 mm100 -54.05 -30.59 48.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.989 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 10.7 t -73.21 -35.04 46.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.151 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.537 HG22 ' HA ' ' A' ' 100' ' ' ILE . 92.4 t -62.04 -51.17 75.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.155 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 14.0 mmm180 -59.02 -26.79 64.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.861 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 61.5 t80 -75.5 -53.58 8.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.922 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' CYS . . . . . 0.428 ' HB2' HG21 ' A' ' 104' ' ' VAL . 55.5 m -65.22 -43.61 90.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.882 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.7 HG22 HG11 ' A' ' 107' ' ' VAL . 37.0 p -57.26 -28.32 62.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.137 -179.849 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 54.5 m-20 -74.14 -36.6 64.16 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.816 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.708 HD23 ' HB2' ' A' ' 74' ' ' LEU . 1.4 mp -54.0 -33.29 56.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.911 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.613 HD13 HG13 ' A' ' 107' ' ' VAL . 5.8 mt -64.68 -45.84 94.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.143 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 49.7 mm-40 -73.81 -34.29 64.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.89 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -82.63 -9.28 59.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.9 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 55.4 mmtt 64.02 41.5 6.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.909 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -112.95 35.52 3.88 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.875 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.443 HD11 ' CE1' ' A' ' 112' ' ' TYR . 37.8 mt -54.21 -23.05 13.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.91 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -50.26 -49.1 54.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.758 ' HA ' HD12 ' A' ' 76' ' ' LEU . 3.4 mtpt -78.73 -22.44 46.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.708 ' HB2' HD23 ' A' ' 65' ' ' LEU . 26.9 tp -58.71 -56.45 22.07 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.93 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.571 ' HA ' HD11 ' A' ' 116' ' ' LEU . 12.9 t0 -58.17 -28.38 64.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.798 179.869 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.758 HD12 ' HA ' ' A' ' 73' ' ' LYS . 26.8 mt -76.83 -43.74 35.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.948 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.595 HG12 ' CE ' ' A' ' 81' ' ' MET . 89.8 t -71.03 -39.3 74.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.121 179.86 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.516 HD13 ' CE ' ' A' ' 81' ' ' MET . 32.2 mm -66.12 -52.73 44.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.127 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.454 ' HA ' ' HG2' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -64.41 -25.49 68.04 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.911 179.827 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.668 ' CE1' HD11 ' A' ' 84' ' ' LEU . 42.4 t80 -80.99 -43.26 19.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.905 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.595 ' CE ' HG12 ' A' ' 77' ' ' VAL . 15.1 ptp -74.2 -32.84 63.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.899 179.859 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.454 ' HG2' ' HA ' ' A' ' 79' ' ' LYS . 0.0 OUTLIER -70.57 -32.12 69.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.915 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 2.2 ptm180 -71.08 -29.32 65.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.82 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.702 HD13 ' HA ' ' A' ' 41' ' ' LYS . 17.4 mt -82.48 -53.7 5.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.941 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 25.8 mtt -57.28 -27.93 62.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.815 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 60.8 mt-30 -78.72 -50.42 11.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.849 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -70.71 -10.57 59.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.957 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 5.2 m -54.96 175.83 0.05 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.505 HG13 ' CD ' ' A' ' 90' ' ' GLU . 2.9 p -98.5 -31.81 3.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.137 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.505 ' CD ' HG13 ' A' ' 89' ' ' VAL . 37.1 mp0 -85.33 131.07 34.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.874 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.6 p -70.46 -25.87 63.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.834 -179.768 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.499 HG12 ' HB3' ' A' ' 90' ' ' GLU . 10.0 p -58.11 -23.79 22.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.134 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 16.8 m95 -68.91 -35.14 76.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.976 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -57.77 -41.21 81.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.924 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 16.3 mtm -72.61 -36.5 68.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.889 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -53.19 -45.01 68.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.104 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.806 ' CZ ' HD11 ' A' ' 101' ' ' LEU . 22.9 t80 -59.95 -41.63 92.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.922 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -68.13 -34.56 76.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.85 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 33.6 t80 -58.47 -46.42 86.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.847 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.642 HD11 HG23 ' A' ' 55' ' ' ILE . 5.8 mt -67.08 -41.02 86.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.112 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.806 HD11 ' CZ ' ' A' ' 97' ' ' PHE . 20.3 mt -66.31 -36.6 83.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.896 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -59.28 -25.81 64.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -98.78 -41.24 7.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.871 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.428 HG21 ' HB2' ' A' ' 62' ' ' CYS . 82.3 t -72.49 -59.18 3.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.183 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.795 ' HA ' HD23 ' A' ' 108' ' ' LEU . 15.4 mm-40 -48.76 -29.0 4.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.951 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 4.2 t -71.34 -55.39 13.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.137 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.7 HG11 HG22 ' A' ' 63' ' ' THR . 5.2 p -66.42 -26.71 38.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.103 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.896 HD21 ' HA ' ' A' ' 115' ' ' THR . 0.1 OUTLIER -74.33 -39.0 63.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.88 179.943 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 109' ' ' GLN . . . . . 0.41 ' N ' ' HG ' ' A' ' 108' ' ' LEU . 27.4 mt-30 -67.32 -41.0 85.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.927 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -64.53 -14.47 57.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.904 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 76.7 m -95.56 -60.66 1.61 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.108 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' TYR . . . . . 0.499 ' CE1' HG23 ' A' ' 66' ' ' ILE . 10.7 m-85 -103.31 -42.5 5.71 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.9 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 111.54 -14.56 27.41 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.421 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.59 ' O ' HD11 ' A' ' 108' ' ' LEU . 1.1 t -93.06 -172.73 3.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.963 0.411 . . . . 0.0 110.902 -179.836 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 115' ' ' THR . . . . . 0.896 ' HA ' HD21 ' A' ' 108' ' ' LEU . 71.9 p -152.86 -177.75 6.47 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.112 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.571 HD11 ' HA ' ' A' ' 75' ' ' ASP . 0.3 OUTLIER -85.43 155.43 21.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.928 179.919 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.93 100.19 9.97 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.924 179.841 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.415 HG23 ' O ' ' A' ' 118' ' ' VAL . 4.5 m -118.26 94.4 3.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 121.005 0.431 . . . . 0.0 111.098 179.868 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 15.2 t . . . . . 0 C--N 1.331 -0.213 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.164 -179.96 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 207' ' ' LYS . . . . . . . . . . . . . 23.9 tttp . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.796 0.331 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 208' ' ' SER . . . . . . . . . . . . . 1.4 p -177.36 171.83 1.94 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.851 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 209' ' ' PHE . . . . . 0.597 ' CD1' HD11 ' A' ' 47' ' ' ILE . 70.7 t80 -79.56 -51.48 9.24 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 210' ' ' PHE . . . . . . . . . . . . . 73.5 m-85 -56.32 -25.1 47.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.904 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 211' ' ' ASP . . . . . . . . . . . . . 37.7 m-20 -74.44 -46.48 39.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.84 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 212' ' ' LYS . . . . . . . . . . . . . 16.6 ptpt -77.74 -18.36 56.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 213' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -83.95 -39.22 20.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.889 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 214' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -52.96 -29.7 30.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 215' ' ' SER . . . . . 0.505 ' HA ' HD12 ' B' ' 218' ' ' ILE . 69.8 m -59.7 -60.87 3.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.809 -179.79 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 216' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -55.16 -30.66 60.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.909 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 217' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.29 -48.42 65.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 218' ' ' ILE . . . . . 0.505 HD12 ' HA ' ' B' ' 215' ' ' SER . 11.7 mt -54.62 -26.67 16.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.042 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 219' ' ' SER . . . . . . . . . . . . . 1.4 t -104.04 162.91 12.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.86 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 220' ' ' ASN . . . . . . . . . . . . . 8.8 p-10 . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.826 -179.945 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 -0.059 0 CA-C-O 120.829 0.347 . . . . 0.0 111.129 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.561 ' HB1' ' HD2' ' A' ' 25' ' ' PRO . . . -89.71 160.13 42.03 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.638 0.732 . . . . 0.0 111.049 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.561 ' HD2' ' HB1' ' A' ' 24' ' ' ALA . 53.5 Cg_endo -69.7 94.53 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.696 2.264 . . . . 0.0 112.369 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -125.52 150.17 47.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.84 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.583 HD21 HD21 ' A' ' 40' ' ' LEU . 5.2 tp -104.49 111.87 24.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.959 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.457 ' HB1' ' HB3' ' B' ' 214' ' ' ARG . . . 55.03 28.95 11.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.135 179.84 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 94.59 13.0 55.13 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.505 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.48 ' HB2' HD11 ' A' ' 39' ' ' LEU . . . -104.0 113.31 26.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.876 0.369 . . . . 0.0 111.111 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 41.7 t -87.86 -46.53 15.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.156 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.658 ' O ' HG23 ' A' ' 36' ' ' VAL . 19.4 mt-10 -67.89 148.03 51.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.829 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 46.4 t80 -62.36 -49.82 74.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.898 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 6.0 p -51.29 -38.08 50.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.91 -179.8 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.438 ' HB3' ' HB1' ' A' ' 30' ' ' ALA . 3.6 m-20 -72.6 -30.13 64.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.861 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.658 HG23 ' O ' ' A' ' 32' ' ' GLU . 92.5 t -73.39 -56.52 9.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.166 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.726 ' HA ' HD12 ' A' ' 40' ' ' LEU . 2.8 ptmt -56.76 -34.01 67.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.907 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 45.9 m -65.75 -38.31 88.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.112 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.48 HD11 ' HB2' ' A' ' 30' ' ' ALA . 15.6 mt -70.26 -35.99 74.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.909 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.726 HD12 ' HA ' ' A' ' 37' ' ' LYS . 5.9 mt -72.07 -45.9 58.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.887 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.719 ' HA ' HD13 ' A' ' 84' ' ' LEU . 4.2 ttpt -52.4 -43.05 64.53 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.877 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.773 ' O ' HG22 ' A' ' 46' ' ' THR . 25.5 pt-20 -77.14 -41.59 41.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.845 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.476 ' HD1' HD13 ' A' ' 47' ' ' ILE . 39.0 t90 -63.61 -15.24 57.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.946 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.449 HG22 ' O ' ' A' ' 44' ' ' ILE . 37.2 mt -101.9 -13.51 8.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.131 179.863 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.586 HG23 ' O ' ' A' ' 41' ' ' LYS . 69.2 p -103.71 -55.8 2.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.134 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.773 HG22 ' O ' ' A' ' 42' ' ' GLU . 13.1 t -66.13 -16.51 64.02 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.153 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.593 HD11 ' CD1' ' B' ' 209' ' ' PHE . 3.4 mt -128.16 126.16 65.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.128 179.858 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -106.65 -26.25 11.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.794 -179.842 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -112.44 78.03 2.49 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.57 0.7 . . . . 0.0 110.946 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.68 150.82 69.18 Favored 'Trans proline' 0 C--O 1.231 0.137 0 C-N-CA 122.737 2.291 . . . . 0.0 112.316 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 31.1 mtp -98.59 159.36 15.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.88 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -55.57 -40.71 72.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.814 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 21.1 tp10 -64.28 -48.34 76.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.961 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -55.6 -49.78 71.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.926 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 53.9 mt -67.25 -31.53 53.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.132 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.6 mt -63.74 -37.7 88.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.991 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 4.7 mm-40 -54.59 -32.74 59.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.96 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 13.8 t -71.15 -34.96 56.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.105 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.467 HG22 ' HA ' ' A' ' 100' ' ' ILE . 96.8 t -63.36 -50.8 77.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.191 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 32.6 mmm-85 -59.53 -27.23 66.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.803 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 57.6 t80 -75.29 -53.76 8.22 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.897 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' CYS . . . . . 0.415 ' HB2' HG21 ' A' ' 104' ' ' VAL . 38.9 m -64.79 -43.41 93.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.907 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.753 HG22 HG11 ' A' ' 107' ' ' VAL . 38.2 p -57.73 -28.71 64.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.092 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 31.1 m-20 -73.74 -36.73 65.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.72 HD23 ' HB2' ' A' ' 74' ' ' LEU . 1.4 mp -54.24 -33.68 58.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.912 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.604 HD13 HG13 ' A' ' 107' ' ' VAL . 5.3 mt -63.35 -48.63 86.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.188 179.83 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -73.56 -32.2 64.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.884 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -82.69 -9.13 59.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.827 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 3.1 mmmt 63.36 41.18 7.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.881 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -113.71 35.39 4.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 179.793 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 33.2 mt -53.99 -23.29 12.77 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.885 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -50.46 -49.43 55.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.8 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.772 ' HA ' HD12 ' A' ' 76' ' ' LEU . 2.1 mtpt -78.63 -22.64 46.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.72 ' HB2' HD23 ' A' ' 65' ' ' LEU . 27.3 tp -58.96 -59.46 5.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.936 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.402 ' HA ' HD21 ' A' ' 116' ' ' LEU . 5.1 t0 -56.87 -26.99 59.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.901 179.826 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.772 HD12 ' HA ' ' A' ' 73' ' ' LYS . 38.8 mt -76.97 -44.39 31.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.96 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.568 HG12 ' CE ' ' A' ' 81' ' ' MET . 89.5 t -71.9 -36.88 59.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.202 179.787 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.767 HG21 HD22 ' A' ' 116' ' ' LEU . 31.9 mm -66.67 -53.31 36.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.184 179.871 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.473 ' HA ' ' HG2' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -64.45 -25.06 67.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.861 179.839 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.694 ' CE1' HD11 ' A' ' 84' ' ' LEU . 41.6 t80 -81.13 -44.09 18.43 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.991 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.568 ' CE ' HG12 ' A' ' 77' ' ' VAL . 13.2 ptp -73.9 -32.93 63.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.854 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.473 ' HG2' ' HA ' ' A' ' 79' ' ' LYS . 0.0 OUTLIER -70.13 -31.87 69.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.838 179.917 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 3.5 ptm180 -71.37 -29.72 65.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.877 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.719 HD13 ' HA ' ' A' ' 41' ' ' LYS . 14.3 mt -82.1 -56.46 3.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.913 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 34.8 mtt -54.34 -27.35 35.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.859 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 55.8 mt-30 -79.63 -41.03 27.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.994 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -88.68 9.85 22.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.912 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 96.2 p -68.26 -178.11 1.01 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.874 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 3.1 p -98.76 -31.5 3.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.132 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.783 ' HB3' HG12 ' A' ' 92' ' ' VAL . 50.8 mm-40 -96.7 119.15 34.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.897 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -56.32 -25.71 49.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 -179.805 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.783 HG12 ' HB3' ' A' ' 90' ' ' GLU . 12.4 p -55.33 -30.79 25.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.165 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 5.8 m95 -62.71 -37.03 84.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.955 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 11.1 m120 -55.69 -41.11 73.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.899 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 20.2 mtm -72.36 -35.22 68.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.867 179.83 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -54.54 -40.79 69.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.143 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.753 ' CZ ' HD11 ' A' ' 101' ' ' LEU . 25.3 t80 -61.46 -48.65 80.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.864 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 37.2 t0 -60.57 -37.83 82.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.935 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 21.0 t80 -55.57 -44.83 77.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.832 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.467 ' HA ' HG22 ' A' ' 59' ' ' VAL . 9.3 mt -66.67 -47.94 81.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.051 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.753 HD11 ' CZ ' ' A' ' 97' ' ' PHE . 28.9 mt -59.79 -37.61 79.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.919 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -58.15 -25.46 61.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 179.787 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 6.9 m-80 -98.73 -42.4 7.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.919 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.415 HG21 ' HB2' ' A' ' 62' ' ' CYS . 79.3 t -71.58 -59.0 3.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.135 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.809 ' HA ' HD23 ' A' ' 108' ' ' LEU . 17.6 mm-40 -48.78 -28.82 3.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.933 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 4.8 t -72.09 -54.28 17.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.119 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.753 HG11 HG22 ' A' ' 63' ' ' THR . 5.4 p -67.06 -26.16 35.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.103 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.852 HD21 ' HA ' ' A' ' 115' ' ' THR . 0.1 OUTLIER -74.03 -38.4 64.04 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.844 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 109' ' ' GLN . . . . . 0.401 ' N ' ' HG ' ' A' ' 108' ' ' LEU . 18.1 mt-30 -67.15 -41.14 86.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 -63.98 -14.93 57.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 60.5 m -95.77 -60.59 1.61 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.152 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' TYR . . . . . 0.477 ' CE1' HG23 ' A' ' 66' ' ' ILE . 12.1 m-85 -102.12 -42.93 5.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.027 0.442 . . . . 0.0 110.949 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 111.59 -14.38 27.34 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.43 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.581 ' O ' HD11 ' A' ' 108' ' ' LEU . 0.9 OUTLIER -95.03 -174.0 3.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.943 0.402 . . . . 0.0 110.86 -179.734 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 115' ' ' THR . . . . . 0.852 ' HA ' HD21 ' A' ' 108' ' ' LEU . 74.9 p -152.56 -177.79 6.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.109 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.767 HD22 HG21 ' A' ' 78' ' ' ILE . 0.1 OUTLIER -95.84 147.52 23.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.66 102.47 13.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.857 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 5.0 m -114.62 107.88 24.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.111 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.123 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 207' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.821 0.344 . . . . 0.0 110.876 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 208' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -178.46 168.01 1.83 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 209' ' ' PHE . . . . . 0.593 ' CD1' HD11 ' A' ' 47' ' ' ILE . 70.8 t80 -82.28 -39.27 23.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.905 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 210' ' ' PHE . . . . . . . . . . . . . 30.3 m-85 -65.65 -26.69 67.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.875 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 211' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -76.64 -42.91 40.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 212' ' ' LYS . . . . . . . . . . . . . 7.3 ptmt -76.74 -24.64 53.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 213' ' ' LYS . . . . . . . . . . . . . 2.4 tppt? -82.89 -49.86 9.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.869 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 214' ' ' ARG . . . . . 0.457 ' HB3' ' HB1' ' A' ' 28' ' ' ALA . 52.2 ptt85 -53.15 -32.52 48.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.865 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 215' ' ' SER . . . . . 0.548 ' HA ' HD12 ' B' ' 218' ' ' ILE . 0.3 OUTLIER -59.05 -54.08 51.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.898 -179.814 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 216' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -62.44 -30.72 71.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.874 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 217' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -69.54 -27.18 64.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.873 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 218' ' ' ILE . . . . . 0.548 HD12 ' HA ' ' B' ' 215' ' ' SER . 9.3 mt -80.49 -53.89 11.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.093 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 219' ' ' SER . . . . . . . . . . . . . 2.5 t -89.27 179.55 6.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.854 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 220' ' ' ASN . . . . . . . . . . . . . 15.8 t30 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.895 -179.987 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.777 0.322 . . . . 0.0 111.119 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.587 ' HB1' ' HD2' ' A' ' 25' ' ' PRO . . . -120.26 160.17 44.55 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.596 0.712 . . . . 0.0 111.108 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.587 ' HD2' ' HB1' ' A' ' 24' ' ' ALA . 53.3 Cg_endo -69.77 85.77 0.61 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.652 2.234 . . . . 0.0 112.337 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.457 ' CG ' HG22 ' A' ' 31' ' ' VAL . 3.1 m-20 -125.17 151.43 45.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.845 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.494 HD21 HD21 ' A' ' 40' ' ' LEU . 8.9 tp -107.23 114.14 27.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.925 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 54.54 27.79 8.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.182 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 94.95 13.08 54.38 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.521 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.463 ' HB2' HD11 ' A' ' 39' ' ' LEU . . . -103.86 113.16 26.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.819 0.343 . . . . 0.0 111.14 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.457 HG22 ' CG ' ' A' ' 26' ' ' ASN . 21.7 t -90.79 -37.04 8.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.101 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.736 ' O ' HG23 ' A' ' 36' ' ' VAL . 5.9 mm-40 -72.06 143.5 49.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.931 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 43.9 t80 -61.52 -51.17 69.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.835 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 52.2 p -52.28 -36.96 54.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -73.49 -29.5 62.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.83 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.736 HG23 ' O ' ' A' ' 32' ' ' GLU . 91.5 t -72.15 -56.42 10.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.191 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.509 ' HA ' HD12 ' A' ' 40' ' ' LEU . 4.8 ptmt -57.19 -31.99 66.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.854 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 54.3 m -67.04 -40.03 87.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.165 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.463 HD11 ' HB2' ' A' ' 30' ' ' ALA . 8.9 mt -69.62 -35.13 74.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.509 HD12 ' HA ' ' A' ' 37' ' ' LYS . 14.2 mt -71.95 -46.97 55.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.936 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.703 ' HA ' HD13 ' A' ' 84' ' ' LEU . 9.5 ttpt -52.1 -42.76 63.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.937 179.781 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.772 ' O ' HG22 ' A' ' 46' ' ' THR . 12.7 pt-20 -77.32 -41.96 38.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.883 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.476 ' HD1' HD13 ' A' ' 47' ' ' ILE . 39.1 t90 -63.8 -15.25 58.28 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.865 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.461 HG22 ' O ' ' A' ' 44' ' ' ILE . 33.4 mt -101.89 -12.78 8.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.121 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.584 HG23 ' O ' ' A' ' 41' ' ' LYS . 76.0 p -104.32 -55.8 2.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.131 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.772 HG22 ' O ' ' A' ' 42' ' ' GLU . 13.3 t -66.4 -15.72 63.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.175 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.621 HD11 ' CD1' ' B' ' 209' ' ' PHE . 3.4 mt -128.94 128.07 66.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.146 179.841 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -106.94 -25.16 11.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.794 -179.882 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -116.97 82.03 12.99 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-O 121.573 0.701 . . . . 0.0 110.826 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 148.59 65.56 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.626 2.217 . . . . 0.0 112.368 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 23.2 ttm -90.38 152.6 20.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.834 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -52.78 -34.13 51.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.835 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -71.52 -47.78 53.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.889 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -55.43 -47.67 75.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.836 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 51.2 mt -65.54 -31.64 54.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.123 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.4 mt -62.71 -38.98 92.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.933 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 8.0 mm-40 -54.52 -32.36 57.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.853 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 17.2 t -71.3 -34.62 54.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.135 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.604 HG22 ' HA ' ' A' ' 100' ' ' ILE . 96.1 t -65.63 -51.18 65.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.156 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 23.2 mmt85 -60.42 -26.0 66.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 61.1 t80 -75.26 -52.17 11.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.915 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 66.1 m -67.84 -45.51 74.44 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.866 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.589 HG23 HG22 ' A' ' 104' ' ' VAL . 46.4 p -56.35 -26.78 53.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.134 -179.882 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 60.6 m-20 -73.45 -37.81 65.71 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.826 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.669 HD23 ' HB2' ' A' ' 74' ' ' LEU . 1.6 mp -54.48 -33.02 58.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.911 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.667 HD13 HG13 ' A' ' 107' ' ' VAL . 3.2 mt -64.21 -44.78 97.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.114 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -73.88 -35.24 64.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.941 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 35.0 mm-40 -82.49 -9.01 59.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.904 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 27.4 mmtt 64.6 40.58 5.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.886 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -112.65 36.53 3.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.916 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 33.5 mt -54.15 -22.99 12.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.91 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 -50.37 -48.46 55.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.829 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.696 ' HA ' HD12 ' A' ' 76' ' ' LEU . 1.4 mtpm? -78.74 -22.39 46.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.833 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.669 ' HB2' HD23 ' A' ' 65' ' ' LEU . 25.2 tp -59.91 -50.54 73.36 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.913 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.533 ' HA ' HD21 ' A' ' 116' ' ' LEU . 0.9 OUTLIER -62.61 -29.26 70.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.875 179.815 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.696 HD12 ' HA ' ' A' ' 73' ' ' LYS . 21.3 mt -76.85 -45.26 29.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.829 -179.887 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.574 HG12 ' CE ' ' A' ' 81' ' ' MET . 99.3 t -70.21 -42.29 78.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.138 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.796 HG21 HD22 ' A' ' 116' ' ' LEU . 27.1 mm -64.17 -52.36 57.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.109 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.465 ' HA ' ' HG2' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -64.3 -25.31 67.99 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.863 179.852 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.664 ' CE1' HD11 ' A' ' 84' ' ' LEU . 38.2 t80 -80.64 -43.42 20.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.929 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.574 ' CE ' HG12 ' A' ' 77' ' ' VAL . 14.5 ptp -74.38 -32.79 62.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.891 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.465 ' HG2' ' HA ' ' A' ' 79' ' ' LYS . 0.0 OUTLIER -70.51 -31.99 69.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.922 179.936 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 1.6 ptm180 -71.2 -29.52 65.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.848 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.703 HD13 ' HA ' ' A' ' 41' ' ' LYS . 19.1 mt -82.51 -55.33 4.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.851 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 29.6 mtt -55.25 -26.25 38.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.842 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 57.7 mt-30 -81.27 -55.07 4.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.877 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -65.41 -14.7 61.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.904 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 2.1 m -51.95 164.76 0.24 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.81 -179.702 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 2.4 m -85.35 -26.28 6.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.065 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.423 ' HB3' HG22 ' A' ' 92' ' ' VAL . 3.6 mm-40 -94.68 128.44 41.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 53.8 p -70.56 -25.71 63.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.842 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.423 HG22 ' HB3' ' A' ' 90' ' ' GLU . 29.2 m -55.02 -26.14 17.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.109 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 9.2 m95 -68.3 -35.45 77.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.935 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 9.8 m120 -56.17 -38.7 71.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.895 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 19.6 mtm -72.42 -39.26 68.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -53.18 -38.92 63.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.072 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.784 ' CZ ' HD11 ' A' ' 101' ' ' LEU . 24.8 t80 -64.4 -48.64 74.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.848 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 39.3 t0 -60.42 -34.08 73.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.872 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 37.6 t80 -58.61 -48.74 79.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.908 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.604 ' HA ' HG22 ' A' ' 59' ' ' VAL . 5.7 mt -63.6 -39.02 83.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.162 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.784 HD11 ' CZ ' ' A' ' 97' ' ' PHE . 26.8 mt -69.71 -33.86 73.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -59.52 -29.32 67.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.86 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 20.2 m-80 -97.99 -37.74 9.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.89 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.589 HG22 HG23 ' A' ' 63' ' ' THR . 82.1 t -73.43 -60.64 2.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.14 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.829 ' HA ' HD23 ' A' ' 108' ' ' LEU . 18.5 mm-40 -49.22 -29.47 5.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.85 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 3.3 t -70.58 -53.2 23.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.065 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.667 HG13 HD13 ' A' ' 66' ' ' ILE . 7.5 p -68.7 -24.98 29.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.096 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.875 HD21 ' HA ' ' A' ' 115' ' ' THR . 0.1 OUTLIER -74.16 -38.81 63.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.939 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 109' ' ' GLN . . . . . 0.406 ' N ' ' HG ' ' A' ' 108' ' ' LEU . 24.7 mt-30 -66.17 -41.02 90.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.921 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -64.46 -14.85 59.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 73.6 m -95.63 -59.35 1.89 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.094 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 11.9 m-85 -104.44 -42.87 5.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.892 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 111.15 -14.3 28.45 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.426 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.592 ' O ' HD11 ' A' ' 108' ' ' LEU . 1.2 t -95.14 -173.24 2.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.933 0.397 . . . . 0.0 110.827 -179.698 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 115' ' ' THR . . . . . 0.875 ' HA ' HD21 ' A' ' 108' ' ' LEU . 67.4 p -152.48 -177.91 6.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.115 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.796 HD22 HG21 ' A' ' 78' ' ' ILE . 0.1 OUTLIER -92.51 155.48 17.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.912 179.95 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.5 97.71 7.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.868 179.863 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 3.9 m -118.34 93.21 2.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.119 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 9.8 t . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.113 -179.924 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 207' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.457 -0.091 0 CA-C-O 120.845 0.355 . . . . 0.0 110.852 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 208' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -179.45 159.85 0.94 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.86 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 209' ' ' PHE . . . . . 0.621 ' CD1' HD11 ' A' ' 47' ' ' ILE . 76.9 t80 -69.01 -44.14 73.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.885 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 210' ' ' PHE . . . . . . . . . . . . . 28.8 m-85 -61.73 -25.44 67.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.904 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 211' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -73.25 -46.77 48.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.845 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 212' ' ' LYS . . . . . . . . . . . . . 7.7 ptpp? -71.08 -23.95 62.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.931 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 213' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -82.29 -49.43 10.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 214' ' ' ARG . . . . . . . . . . . . . 41.8 ptt85 -58.06 -30.09 65.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.907 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 215' ' ' SER . . . . . . . . . . . . . 26.7 t -77.68 -31.47 52.5 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.823 -179.787 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 216' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -61.07 -47.57 85.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.88 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 217' ' ' ARG . . . . . . . . . . . . . 12.0 ptm180 -65.74 -39.94 91.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.836 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 218' ' ' ILE . . . . . . . . . . . . . 52.2 mt -69.17 -24.73 28.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.162 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 219' ' ' SER . . . . . . . . . . . . . 13.8 p -97.02 178.04 5.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.862 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 220' ' ' ASN . . . . . . . . . . . . . 17.5 p30 . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.878 -179.999 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.739 0.304 . . . . 0.0 111.081 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.577 ' HB1' ' HD2' ' A' ' 25' ' ' PRO . . . -96.15 160.35 30.09 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.6 0.714 . . . . 0.0 111.052 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.577 ' HD2' ' HB1' ' A' ' 24' ' ' ALA . 53.3 Cg_endo -69.81 98.12 0.68 Allowed 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.692 2.261 . . . . 0.0 112.292 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -125.97 147.57 49.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.835 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.63 HD21 HD21 ' A' ' 40' ' ' LEU . 10.4 tp -108.23 115.95 31.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.876 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 56.37 29.83 15.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.13 179.766 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 89.37 13.15 62.05 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.493 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -104.92 119.39 38.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.853 0.359 . . . . 0.0 111.052 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 21.8 t -93.74 -36.92 7.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.109 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.74 ' O ' HG23 ' A' ' 36' ' ' VAL . 33.2 mm-40 -72.82 146.27 46.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.916 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 42.1 t80 -62.85 -51.02 68.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.857 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 12.2 p -51.72 -37.58 51.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.872 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -73.26 -29.41 62.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.879 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.74 HG23 ' O ' ' A' ' 32' ' ' GLU . 88.8 t -72.36 -57.23 7.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.123 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.418 ' HA ' HD12 ' A' ' 40' ' ' LEU . 3.2 ptmt -56.62 -34.85 67.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 55.5 m -64.98 -36.87 85.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.16 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 12.9 mt -70.52 -36.62 73.85 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.932 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.63 HD21 HD21 ' A' ' 27' ' ' LEU . 13.8 mt -72.26 -46.18 57.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.909 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.728 ' HA ' HD13 ' A' ' 84' ' ' LEU . 0.9 OUTLIER -52.05 -43.0 63.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.899 179.805 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.776 ' O ' HG22 ' A' ' 46' ' ' THR . 12.0 pt-20 -77.17 -41.78 40.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.927 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.51 ' HD1' HD13 ' A' ' 47' ' ' ILE . 34.7 t90 -63.85 -15.26 58.46 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.885 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.474 HG22 ' O ' ' A' ' 44' ' ' ILE . 35.3 mt -102.23 -11.9 8.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.161 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.575 HG23 ' O ' ' A' ' 41' ' ' LYS . 77.4 p -105.58 -55.98 2.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.137 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.776 HG22 ' O ' ' A' ' 42' ' ' GLU . 12.6 t -66.9 -16.85 64.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.12 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.575 HD11 ' CD1' ' B' ' 209' ' ' PHE . 3.4 mt -128.05 127.58 67.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.139 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.8 m -106.81 -26.39 11.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.853 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -113.85 80.98 5.53 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.623 0.725 . . . . 0.0 110.884 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.83 147.93 63.53 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.652 2.235 . . . . 0.0 112.404 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 11.6 ttp -95.48 167.51 11.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.901 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.43 -58.1 9.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.923 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -51.72 -31.33 25.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -69.94 -49.89 47.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.896 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 63.4 mt -66.22 -42.76 91.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.145 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -51.84 -40.07 59.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 8.9 mm-40 -54.04 -32.18 53.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.875 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 12.0 t -72.98 -34.7 46.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.095 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.538 HG22 ' HA ' ' A' ' 100' ' ' ILE . 91.3 t -67.7 -52.45 40.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.156 179.877 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 40.8 mmm-85 -58.64 -25.8 63.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.913 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 69.9 t80 -75.46 -52.08 11.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.956 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 56.9 m -67.3 -46.1 74.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.892 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.74 HG22 HG11 ' A' ' 107' ' ' VAL . 34.8 p -53.51 -28.44 31.16 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.218 -179.864 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 43.2 m-20 -73.71 -38.02 64.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.894 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.813 HD23 ' HB2' ' A' ' 74' ' ' LEU . 1.0 OUTLIER -54.31 -32.78 57.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.891 -179.931 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.609 HD13 HG13 ' A' ' 107' ' ' VAL . 6.0 mt -65.46 -48.59 82.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.117 179.859 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -73.39 -28.38 61.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -86.96 -10.07 54.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 3.9 mmmm 63.99 42.96 5.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.922 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -115.64 35.72 4.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.853 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.629 HD11 ' CE2' ' A' ' 112' ' ' TYR . 21.4 mt -58.01 -17.25 16.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.96 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -50.15 -54.9 17.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.911 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.622 ' HA ' HD12 ' A' ' 76' ' ' LEU . 0.0 OUTLIER -78.92 -22.2 46.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.923 179.939 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.813 ' HB2' HD23 ' A' ' 65' ' ' LEU . 37.0 tp -53.59 -52.79 58.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.932 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.44 -27.77 68.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.862 179.855 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.622 HD12 ' HA ' ' A' ' 73' ' ' LYS . 42.3 mt -76.68 -44.01 35.49 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.928 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.497 HG12 ' CE ' ' A' ' 81' ' ' MET . 86.4 t -70.43 -40.55 77.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.149 179.793 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.773 HG21 HD22 ' A' ' 116' ' ' LEU . 29.6 mm -64.96 -53.07 45.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.174 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.46 ' HA ' ' HG2' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -64.36 -25.16 67.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.912 179.819 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.698 ' CE1' HD11 ' A' ' 84' ' ' LEU . 42.3 t80 -80.92 -43.42 19.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.526 ' CE ' HD13 ' A' ' 78' ' ' ILE . 12.6 ptp -74.58 -31.88 62.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.853 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.46 ' HG2' ' HA ' ' A' ' 79' ' ' LYS . 0.0 OUTLIER -71.32 -32.2 68.31 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.872 179.956 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 2.3 ptm180 -71.52 -28.69 64.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.867 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.728 HD13 ' HA ' ' A' ' 41' ' ' LYS . 16.1 mt -82.67 -55.36 4.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 26.0 mtt -55.87 -25.98 44.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.933 179.804 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 51.3 mt-30 -80.85 -42.43 21.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.977 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -85.52 4.59 35.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.86 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 98.6 p -64.76 -177.41 0.33 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.858 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 2.9 p -100.12 -31.28 3.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.163 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.665 ' HB3' HG12 ' A' ' 92' ' ' VAL . 5.2 mm-40 -91.71 135.68 33.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.952 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 2.7 t -71.73 -23.72 61.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 -179.767 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.665 HG12 ' HB3' ' A' ' 90' ' ' GLU . 10.6 p -60.68 -28.93 43.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.153 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 4.6 m95 -64.05 -37.1 86.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.912 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -57.82 -41.99 83.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.899 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 17.6 mtm -72.65 -35.1 67.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.897 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -53.35 -44.92 68.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.095 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.79 ' CZ ' HD11 ' A' ' 101' ' ' LEU . 23.5 t80 -59.38 -44.98 92.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.884 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 42.2 t0 -62.46 -39.01 92.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 24.9 t80 -55.61 -48.75 74.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.896 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.538 ' HA ' HG22 ' A' ' 59' ' ' VAL . 9.2 mt -62.5 -40.3 87.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.171 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.79 HD11 ' CZ ' ' A' ' 97' ' ' PHE . 23.0 mt -67.78 -35.44 78.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.917 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -60.08 -27.31 66.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 179.835 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 5.2 m-80 -98.44 -38.21 9.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.894 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.476 HG23 ' O ' ' A' ' 100' ' ' ILE . 83.5 t -74.34 -59.32 3.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.078 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.822 ' HA ' HD23 ' A' ' 108' ' ' LEU . 13.4 mm-40 -48.96 -28.95 4.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.85 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 4.6 t -70.55 -56.98 9.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.116 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.74 HG11 HG22 ' A' ' 63' ' ' THR . 5.0 p -64.62 -25.63 38.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.108 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.862 HD21 ' HA ' ' A' ' 115' ' ' THR . 0.1 OUTLIER -74.04 -39.11 63.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.917 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 109' ' ' GLN . . . . . 0.404 ' N ' ' HG ' ' A' ' 108' ' ' LEU . 17.3 mt-30 -66.32 -41.22 89.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.942 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 -63.42 -15.58 58.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.93 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 55.5 m -95.68 -60.64 1.61 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.075 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' TYR . . . . . 0.629 ' CE2' HD11 ' A' ' 71' ' ' LEU . 7.6 m-85 -102.42 -43.06 5.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.957 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 111.01 -14.52 28.74 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.527 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.579 ' O ' HD11 ' A' ' 108' ' ' LEU . 1.0 OUTLIER -94.46 -174.27 3.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.004 0.43 . . . . 0.0 110.883 -179.754 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 115' ' ' THR . . . . . 0.862 ' HA ' HD21 ' A' ' 108' ' ' LEU . 68.0 p -152.49 -178.21 6.7 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.138 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.773 HD22 HG21 ' A' ' 78' ' ' ILE . 0.1 OUTLIER -97.32 146.06 25.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.895 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.86 98.78 10.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.903 179.877 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.499 HG11 ' HZ ' ' A' ' 97' ' ' PHE . 4.9 m -117.81 105.86 18.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.116 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 14.8 t . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.08 -179.971 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 207' ' ' LYS . . . . . . . . . . . . . 14.1 mtmt . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.788 0.327 . . . . 0.0 110.916 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 208' ' ' SER . . . . . . . . . . . . . 34.3 p -174.51 173.34 2.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.857 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 209' ' ' PHE . . . . . 0.575 ' CD1' HD11 ' A' ' 47' ' ' ILE . 80.1 t80 -82.58 -46.81 12.87 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.869 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 210' ' ' PHE . . . . . . . . . . . . . 67.8 m-85 -62.41 -24.68 67.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.863 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 211' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -76.23 -43.02 44.04 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.868 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 212' ' ' LYS . . . . . . . . . . . . . 19.3 ptpt -77.34 -23.91 50.82 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 213' ' ' LYS . . . . . . . . . . . . . 8.3 tmtt? -83.38 -44.57 14.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.884 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 214' ' ' ARG . . . . . . . . . . . . . 13.4 ptp180 -60.98 -31.76 71.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.865 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 215' ' ' SER . . . . . . . . . . . . . 1.4 t -61.78 -40.61 95.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.844 -179.769 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 216' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -67.05 -41.64 86.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.872 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 217' ' ' ARG . . . . . . . . . . . . . 57.6 ttt85 -58.69 -26.79 64.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.832 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 218' ' ' ILE . . . . . . . . . . . . . 50.5 mt -80.61 -25.25 11.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.112 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 219' ' ' SER . . . . . . . . . . . . . 2.8 t -95.04 -74.31 0.55 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.833 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 220' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.928 -179.962 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.88 0.372 . . . . 0.0 111.098 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.592 ' HB1' ' HD2' ' A' ' 25' ' ' PRO . . . -104.08 160.26 26.64 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.58 0.705 . . . . 0.0 111.082 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.592 ' HD2' ' HB1' ' A' ' 24' ' ' ALA . 54.4 Cg_endo -69.67 96.51 0.59 Allowed 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.632 2.221 . . . . 0.0 112.426 179.864 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -126.16 135.32 51.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.921 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.574 HD21 HD21 ' A' ' 40' ' ' LEU . 12.5 tp -102.78 113.51 26.98 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.941 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 56.81 27.65 13.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.042 179.805 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 92.36 13.03 57.85 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.487 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.475 ' HB2' HD11 ' A' ' 39' ' ' LEU . . . -106.83 118.74 37.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.814 0.34 . . . . 0.0 111.065 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 22.0 t -95.38 -38.35 8.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.153 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.739 ' O ' HG23 ' A' ' 36' ' ' VAL . 6.4 mm-40 -72.22 143.48 48.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.933 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 43.3 t80 -58.53 -51.33 70.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.868 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.49 -37.47 49.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.837 -179.76 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -75.61 -29.72 59.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.922 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.739 HG23 ' O ' ' A' ' 32' ' ' GLU . 99.0 t -73.54 -49.43 36.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.088 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.526 ' HA ' HD12 ' A' ' 40' ' ' LEU . 6.3 pttt -63.48 -30.43 71.55 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 54.9 m -67.48 -39.99 85.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.224 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.475 HD11 ' HB2' ' A' ' 30' ' ' ALA . 15.1 mt -67.14 -37.53 83.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.925 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.574 HD21 HD21 ' A' ' 27' ' ' LEU . 8.7 mt -71.87 -45.06 62.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.728 ' HA ' HD13 ' A' ' 84' ' ' LEU . 9.0 ttpt -52.94 -44.54 67.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 179.868 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.794 ' O ' HG22 ' A' ' 46' ' ' THR . 23.1 pt-20 -77.26 -39.75 47.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.862 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.56 ' HD1' HD13 ' A' ' 47' ' ' ILE . 28.6 t90 -64.06 -14.87 57.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.893 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.475 HG22 ' O ' ' A' ' 44' ' ' ILE . 33.6 mt -103.36 -11.69 9.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.144 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.609 HG23 ' O ' ' A' ' 41' ' ' LYS . 81.2 p -105.09 -55.75 2.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.229 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.794 HG22 ' O ' ' A' ' 42' ' ' GLU . 12.7 t -68.7 -11.6 60.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.151 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.562 HD12 HG23 ' A' ' 46' ' ' THR . 3.2 mt -133.36 128.69 55.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.058 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -107.03 -25.59 11.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.865 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -114.35 81.71 6.88 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.671 0.748 . . . . 0.0 110.901 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 148.04 64.27 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.685 2.257 . . . . 0.0 112.369 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 7.1 ttp -93.59 148.02 22.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.868 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.694 ' HA ' HD12 ' A' ' 55' ' ' ILE . 4.9 tp10 -52.46 -52.27 55.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.889 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -51.78 -51.48 56.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -56.68 -34.09 67.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.863 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.694 HD12 ' HA ' ' A' ' 52' ' ' GLU . 20.0 mt -71.62 -41.68 71.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.17 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.405 HD23 ' O ' ' A' ' 52' ' ' GLU . 4.0 mm? -51.97 -38.21 55.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.884 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 3.0 mm-40 -56.36 -32.19 64.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.885 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 13.0 t -71.58 -34.67 53.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.175 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.573 HG22 ' HA ' ' A' ' 100' ' ' ILE . 88.4 t -67.35 -51.22 54.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.101 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 26.3 mmt180 -60.15 -26.31 66.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.459 ' OH ' HG21 ' A' ' 36' ' ' VAL . 59.3 t80 -74.87 -52.95 9.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.916 -179.847 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 57.4 m -66.88 -45.76 77.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.937 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.563 HG23 HG22 ' A' ' 104' ' ' VAL . 43.7 p -55.94 -26.01 45.95 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.165 -179.897 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 30.8 m-20 -73.54 -37.99 65.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.854 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.651 HD23 ' HB2' ' A' ' 74' ' ' LEU . 1.3 mp -54.74 -36.06 64.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.878 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.651 HD13 HG13 ' A' ' 107' ' ' VAL . 3.6 mt -61.66 -45.73 98.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.115 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -74.12 -34.13 63.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.897 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 68.4 mm-40 -82.58 -7.31 59.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.894 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 6.6 mmmt 63.55 39.94 8.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.893 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 35.7 m-20 -112.79 36.66 3.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.934 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.546 HD11 ' CZ ' ' A' ' 112' ' ' TYR . 33.9 mt -54.01 -23.04 12.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.867 -179.856 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -50.21 -49.27 53.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.889 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.723 ' HA ' HD12 ' A' ' 76' ' ' LEU . 1.3 mtpp -78.79 -22.87 45.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.651 ' HB2' HD23 ' A' ' 65' ' ' LEU . 22.0 tp -60.81 -62.05 2.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.936 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -53.31 -28.68 29.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.851 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.723 HD12 ' HA ' ' A' ' 73' ' ' LYS . 27.1 mt -76.66 -44.96 31.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.917 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.638 HG23 ' O ' ' A' ' 73' ' ' LYS . 87.7 t -69.93 -33.43 55.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.125 179.834 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.721 HG21 HD22 ' A' ' 116' ' ' LEU . 31.9 mm -70.22 -55.43 14.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.126 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.459 ' HA ' ' HG2' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -62.58 -25.19 67.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.933 179.828 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.673 ' CE1' HD11 ' A' ' 84' ' ' LEU . 52.9 t80 -79.32 -44.28 21.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.874 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.535 ' CE ' HG12 ' A' ' 77' ' ' VAL . 15.2 ptp -74.42 -32.1 62.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.923 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.459 ' HG2' ' HA ' ' A' ' 79' ' ' LYS . 0.0 OUTLIER -70.19 -31.67 69.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 179.926 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 1.6 ptm180 -73.04 -29.8 63.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.905 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.728 HD13 ' HA ' ' A' ' 41' ' ' LYS . 17.0 mt -82.51 -55.9 4.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.881 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 39.1 mtt -54.41 -27.28 35.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.939 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 60.4 mt-30 -80.56 -55.4 4.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -64.22 -15.81 60.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.863 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 2.8 m -53.98 174.94 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 -179.776 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 3.1 p -94.96 -32.57 4.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.148 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.648 ' HB3' HG12 ' A' ' 92' ' ' VAL . 8.8 mm-40 -83.18 123.98 30.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.917 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 9.2 m -67.87 -26.47 66.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 -179.788 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.648 HG12 ' HB3' ' A' ' 90' ' ' GLU . 10.8 p -55.84 -25.87 19.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.124 179.886 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 16.6 m95 -65.27 -27.09 68.39 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.868 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 8.5 m-80 -66.36 -39.64 89.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.895 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 11.1 mtt -72.34 -39.66 67.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.941 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -54.93 -43.19 73.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.121 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.812 ' CZ ' HD11 ' A' ' 101' ' ' LEU . 24.7 t80 -60.52 -43.91 96.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -66.41 -33.94 76.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.807 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 38.2 t80 -60.02 -47.68 84.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.951 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.573 ' HA ' HG22 ' A' ' 59' ' ' VAL . 6.4 mt -65.39 -37.51 80.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.144 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.812 HD11 ' CZ ' ' A' ' 97' ' ' PHE . 7.8 mt -71.49 -33.2 69.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.955 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -60.26 -28.27 67.92 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.871 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 9.8 m-80 -98.21 -37.88 9.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.829 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.563 HG22 HG23 ' A' ' 63' ' ' THR . 80.6 t -73.71 -59.74 3.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.16 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.816 ' HA ' HD23 ' A' ' 108' ' ' LEU . 9.5 mm-40 -49.19 -29.72 5.94 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.933 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 4.4 t -70.66 -55.09 15.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.066 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.651 HG13 HD13 ' A' ' 66' ' ' ILE . 7.6 p -65.98 -24.8 34.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.185 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.854 HD21 ' HA ' ' A' ' 115' ' ' THR . 0.1 OUTLIER -74.17 -39.19 63.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.898 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 109' ' ' GLN . . . . . 0.404 ' N ' ' HG ' ' A' ' 108' ' ' LEU . 32.6 mt-30 -66.38 -41.11 89.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.868 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 -64.73 -14.39 58.52 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.926 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 84.5 m -95.64 -60.82 1.57 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.153 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' TYR . . . . . 0.546 ' CZ ' HD11 ' A' ' 71' ' ' LEU . 10.6 m-85 -101.69 -43.3 5.9 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.962 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 105.4 42.57 1.72 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.513 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.412 ' O ' HD11 ' A' ' 108' ' ' LEU . 1.2 t -153.57 179.42 8.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.957 0.408 . . . . 0.0 110.89 -179.761 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 115' ' ' THR . . . . . 0.854 ' HA ' HD21 ' A' ' 108' ' ' LEU . 69.4 p -152.03 150.74 30.31 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.114 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.721 HD22 HG21 ' A' ' 78' ' ' ILE . 0.1 OUTLIER -66.57 155.5 37.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.886 179.956 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.4 97.21 7.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.897 179.784 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.636 HG11 ' HZ ' ' A' ' 97' ' ' PHE . 3.9 m -118.31 87.41 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.168 179.841 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 9.1 t . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.137 -179.954 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 207' ' ' LYS . . . . . . . . . . . . . 6.8 tmtm? . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.826 0.346 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 208' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -179.91 153.17 0.5 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.918 -179.888 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 209' ' ' PHE . . . . . 0.545 ' CD1' HD11 ' A' ' 47' ' ' ILE . 72.9 t80 -64.99 -45.32 86.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.774 -179.851 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 210' ' ' PHE . . . . . . . . . . . . . 40.2 m-85 -61.83 -25.44 67.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.821 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 211' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -76.57 -44.29 35.29 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.871 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 212' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.4 -18.92 56.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.953 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 213' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -86.62 -45.54 10.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.912 179.863 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 214' ' ' ARG . . . . . . . . . . . . . 26.5 ptt180 -55.96 -26.17 46.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.882 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 215' ' ' SER . . . . . 0.574 ' HA ' HD12 ' B' ' 218' ' ' ILE . 45.3 t -76.38 -26.05 55.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.845 -179.792 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 216' ' ' GLU . . . . . . . . . . . . . 47.7 mm-40 -65.63 -55.64 16.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.886 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 217' ' ' ARG . . . . . . . . . . . . . 3.7 ptp85 -55.07 -32.74 62.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.886 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 218' ' ' ILE . . . . . 0.574 HD12 ' HA ' ' B' ' 215' ' ' SER . 48.2 mt -71.48 -25.09 24.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.109 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 219' ' ' SER . . . . . . . . . . . . . 8.9 t -93.23 -172.8 3.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 220' ' ' ASN . . . . . . . . . . . . . 4.9 m120 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.922 179.973 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.797 0.332 . . . . 0.0 111.048 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.567 ' HB1' ' HD2' ' A' ' 25' ' ' PRO . . . -120.37 159.74 46.56 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.558 0.694 . . . . 0.0 111.123 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.567 ' HD2' ' HB1' ' A' ' 24' ' ' ALA . 53.7 Cg_endo -69.81 93.01 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.699 2.266 . . . . 0.0 112.31 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -123.65 137.93 54.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.917 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.532 HD21 HD21 ' A' ' 40' ' ' LEU . 4.2 tp -102.13 114.09 27.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.968 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.46 ' HB3' HD13 ' A' ' 39' ' ' LEU . . . 55.93 31.23 17.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.095 179.841 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 89.29 12.69 62.83 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.507 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.576 ' HB2' HD11 ' A' ' 39' ' ' LEU . . . -105.45 117.75 34.82 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.796 0.332 . . . . 0.0 111.092 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 23.5 t -93.75 -41.36 12.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.163 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.743 ' O ' HG23 ' A' ' 36' ' ' VAL . 38.8 mt-10 -71.26 145.17 49.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.914 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 45.8 t80 -60.11 -50.35 74.05 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.873 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -52.12 -37.2 53.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.849 -179.758 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 61.0 m-20 -74.76 -29.45 61.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.897 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.743 HG23 ' O ' ' A' ' 32' ' ' GLU . 81.8 t -71.09 -54.42 17.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.161 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.446 ' HA ' HD12 ' A' ' 40' ' ' LEU . 6.3 pttt -58.93 -32.32 69.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.817 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 63.5 m -65.75 -39.2 90.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.132 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.576 HD11 ' HB2' ' A' ' 30' ' ' ALA . 19.5 mt -69.52 -36.38 76.36 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.937 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.532 HD21 HD21 ' A' ' 27' ' ' LEU . 14.1 mt -71.97 -45.99 58.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.928 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.715 ' HA ' HD13 ' A' ' 84' ' ' LEU . 11.3 ttpt -52.86 -43.7 66.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.892 179.798 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.781 ' O ' HG22 ' A' ' 46' ' ' THR . 25.2 pt-20 -77.45 -41.13 40.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.86 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.52 ' HD1' HD13 ' A' ' 47' ' ' ILE . 33.1 t90 -63.24 -15.42 57.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.93 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.453 HG22 ' O ' ' A' ' 44' ' ' ILE . 38.1 mt -102.11 -13.39 8.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.162 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.582 HG23 ' O ' ' A' ' 41' ' ' LYS . 71.7 p -103.78 -56.12 2.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.148 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.781 HG22 ' O ' ' A' ' 42' ' ' GLU . 12.7 t -66.64 -17.54 64.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.092 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.557 HD12 HG23 ' A' ' 46' ' ' THR . 3.2 mt -128.03 127.17 67.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.159 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -106.82 -25.76 11.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.858 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 86.4 m-20 -112.6 79.6 3.24 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.612 0.72 . . . . 0.0 110.906 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.66 143.26 50.75 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.706 2.27 . . . . 0.0 112.376 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 65.3 mtm -91.46 166.79 12.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.844 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -63.85 -57.76 8.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -51.67 -31.55 26.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.909 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -73.08 -39.75 65.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.909 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 19.6 mt -71.87 -41.81 69.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.144 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -52.15 -38.55 57.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.912 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -54.16 -31.26 52.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.945 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 11.7 t -73.46 -34.67 43.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.094 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.452 HG22 ' HA ' ' A' ' 100' ' ' ILE . 96.8 t -67.96 -51.83 45.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.089 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 16.8 mmm180 -58.72 -25.7 63.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.89 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.404 ' CG ' HD13 ' A' ' 27' ' ' LEU . 67.8 t80 -75.53 -51.84 12.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.862 -179.841 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' CYS . . . . . 0.414 ' HB2' HG21 ' A' ' 104' ' ' VAL . 33.5 m -67.44 -46.06 74.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.958 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.798 HG22 HG11 ' A' ' 107' ' ' VAL . 34.8 p -53.94 -27.73 32.81 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.185 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 71.5 m-20 -73.97 -37.51 64.47 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.857 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.808 HD23 ' HB2' ' A' ' 74' ' ' LEU . 0.9 OUTLIER -54.22 -37.97 65.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.906 -179.938 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.608 ' HA ' HD21 ' A' ' 71' ' ' LEU . 6.0 mt -59.97 -48.05 89.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.116 179.85 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -73.16 -32.98 65.21 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.938 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 48.0 mm-40 -83.91 -2.37 56.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.901 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 57.08 42.92 25.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.857 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -114.32 34.15 4.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.882 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.757 HD11 ' CE2' ' A' ' 112' ' ' TYR . 21.4 mt -56.6 -18.66 12.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.96 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -50.29 -54.82 18.65 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.886 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.784 ' HE2' HD11 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -78.56 -22.27 47.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.939 179.928 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.808 ' HB2' HD23 ' A' ' 65' ' ' LEU . 39.5 tp -53.94 -53.7 49.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.978 179.888 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.697 ' HA ' HD11 ' A' ' 116' ' ' LEU . 0.2 OUTLIER -61.61 -27.2 68.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 179.785 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.652 HD12 ' HA ' ' A' ' 73' ' ' LYS . 48.3 mt -76.7 -42.65 40.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.874 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.465 HG12 ' CE ' ' A' ' 81' ' ' MET . 92.4 t -70.79 -42.34 77.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.189 179.797 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.548 HD13 ' CE ' ' A' ' 81' ' ' MET . 30.4 mm -63.07 -53.72 42.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.147 179.862 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.446 ' HA ' ' HG2' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -63.8 -25.1 68.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.842 179.917 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.674 ' CE1' HD11 ' A' ' 84' ' ' LEU . 38.9 t80 -80.09 -43.7 21.3 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.885 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.548 ' CE ' HD13 ' A' ' 78' ' ' ILE . 14.3 ptp -74.42 -31.95 62.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.842 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.446 ' HG2' ' HA ' ' A' ' 79' ' ' LYS . 0.0 OUTLIER -70.94 -32.09 68.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.892 179.912 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 2.4 ptm180 -71.2 -29.73 65.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.715 HD13 ' HA ' ' A' ' 41' ' ' LYS . 16.3 mt -82.45 -53.86 5.65 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.911 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 31.7 mtt -56.64 -29.93 62.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.861 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 68.2 mt-30 -78.16 -56.77 4.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.886 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -62.56 -17.63 60.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.893 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -51.69 167.05 0.11 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.81 -179.757 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 2.2 m -90.16 -25.51 5.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.149 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.449 ' HB3' HG12 ' A' ' 92' ' ' VAL . 21.8 mm-40 -93.48 128.15 39.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.88 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 16.2 m -71.63 -23.63 61.73 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.912 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.449 HG12 ' HB3' ' A' ' 90' ' ' GLU . 7.6 p -55.55 -24.76 16.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.121 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 11.3 m95 -74.09 -32.81 63.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.941 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -60.05 -38.43 82.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.875 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 17.6 mtm -72.63 -36.27 67.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -56.79 -42.81 80.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.02 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.799 ' CZ ' HD11 ' A' ' 101' ' ' LEU . 23.5 t80 -58.59 -48.94 79.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.911 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 44.5 t0 -61.67 -37.88 85.71 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.854 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 31.6 t80 -56.95 -48.32 78.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.452 ' HA ' HG22 ' A' ' 59' ' ' VAL . 10.9 mt -64.61 -40.26 88.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.088 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.799 HD11 ' CZ ' ' A' ' 97' ' ' PHE . 18.2 mt -66.91 -36.02 81.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.915 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -59.45 -24.62 63.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.918 179.844 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 15.3 m-80 -98.76 -41.94 7.44 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.966 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.414 HG21 ' HB2' ' A' ' 62' ' ' CYS . 79.9 t -72.42 -58.72 4.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.107 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.817 ' HA ' HD23 ' A' ' 108' ' ' LEU . 13.3 mm-40 -48.87 -28.79 4.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.946 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 4.7 t -71.99 -55.01 14.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.069 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.798 HG11 HG22 ' A' ' 63' ' ' THR . 5.3 p -66.45 -26.0 36.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.154 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.856 HD21 ' HA ' ' A' ' 115' ' ' THR . 0.1 OUTLIER -74.06 -38.76 63.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.894 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 109' ' ' GLN . . . . . 0.407 ' N ' ' HG ' ' A' ' 108' ' ' LEU . 17.9 mt-30 -66.44 -41.06 89.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 50.8 mt-30 -63.55 -15.84 59.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 51.7 m -95.65 -58.98 1.97 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.149 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' TYR . . . . . 0.757 ' CE2' HD11 ' A' ' 71' ' ' LEU . 7.5 m-85 -104.77 -43.0 5.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.943 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 110.43 -14.55 30.27 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.48 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.597 ' O ' HD11 ' A' ' 108' ' ' LEU . 0.8 OUTLIER -93.56 -174.51 3.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.002 0.429 . . . . 0.0 110.848 -179.78 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 115' ' ' THR . . . . . 0.856 ' HA ' HD21 ' A' ' 108' ' ' LEU . 76.4 p -152.62 178.94 9.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.102 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.697 HD11 ' HA ' ' A' ' 75' ' ' ASP . 0.1 OUTLIER -91.75 140.93 29.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.23 95.83 10.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.913 179.826 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.52 HG11 ' HZ ' ' A' ' 97' ' ' PHE . 3.9 m -118.49 90.92 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.124 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.112 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 207' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.781 0.324 . . . . 0.0 110.876 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 208' ' ' SER . . . . . . . . . . . . . 1.2 t -179.2 158.12 0.87 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.946 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 209' ' ' PHE . . . . . 0.479 ' CD1' HD11 ' A' ' 47' ' ' ILE . 73.3 t80 -80.73 -34.35 34.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.875 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 210' ' ' PHE . . . . . . . . . . . . . 32.5 m-85 -70.03 -25.83 63.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.875 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 211' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -75.74 -47.22 26.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.854 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 212' ' ' LYS . . . . . . . . . . . . . 1.3 pttp -67.94 -26.42 65.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 213' ' ' LYS . . . . . . . . . . . . . 15.0 tppt? -79.51 -54.23 6.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.936 179.824 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 214' ' ' ARG . . . . . . . . . . . . . 30.9 ptt180 -53.61 -28.2 31.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 215' ' ' SER . . . . . . . . . . . . . 3.4 t -74.51 -35.21 63.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.899 -179.815 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 216' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -55.03 -57.21 12.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.878 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 217' ' ' ARG . . . . . . . . . . . . . 15.4 ptp180 -57.21 -44.98 84.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.817 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 218' ' ' ILE . . . . . . . . . . . . . 56.3 mt -63.92 -24.96 37.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.177 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 219' ' ' SER . . . . . . . . . . . . . 11.1 t -94.19 141.91 28.01 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.82 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 220' ' ' ASN . . . . . . . . . . . . . 9.0 m120 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.9 -179.99 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.853 0.358 . . . . 0.0 111.129 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.591 ' HB1' ' HD2' ' A' ' 25' ' ' PRO . . . -113.81 160.39 32.23 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.586 0.708 . . . . 0.0 111.105 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.591 ' HD2' ' HB1' ' A' ' 24' ' ' ALA . 53.7 Cg_endo -69.83 97.05 0.62 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.735 2.29 . . . . 0.0 112.327 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -124.9 135.38 52.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.934 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.498 HD21 HD21 ' A' ' 40' ' ' LEU . 13.0 tp -103.6 112.36 25.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.934 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.628 ' HB2' ' HB3' ' B' ' 210' ' ' PHE . . . 56.46 26.14 10.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.134 179.771 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 95.04 13.03 54.37 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.559 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.599 ' HB2' HD11 ' A' ' 39' ' ' LEU . . . -107.43 116.73 32.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.889 0.375 . . . . 0.0 111.058 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 19.3 t -94.62 -34.16 5.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.11 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.748 ' O ' HG23 ' A' ' 36' ' ' VAL . 41.6 mt-10 -75.75 144.85 41.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 41.0 t80 -58.72 -53.17 61.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.892 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 79.9 p -51.95 -36.36 49.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.857 -179.822 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 43.5 t0 -74.42 -30.56 61.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.844 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.748 HG23 ' O ' ' A' ' 32' ' ' GLU . 95.0 t -71.58 -54.93 15.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.148 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.737 ' HA ' HD12 ' A' ' 40' ' ' LEU . 5.9 pttt -57.66 -31.03 65.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.897 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 55.1 m -65.63 -42.78 91.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.114 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.599 HD11 ' HB2' ' A' ' 30' ' ' ALA . 9.7 mt -68.13 -32.95 73.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.932 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.737 HD12 ' HA ' ' A' ' 37' ' ' LYS . 11.8 mt -72.23 -48.86 39.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.931 179.867 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.724 ' HA ' HD13 ' A' ' 84' ' ' LEU . 11.5 ttpt -52.68 -41.75 64.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.912 179.793 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.778 ' O ' HG22 ' A' ' 46' ' ' THR . 12.2 pt-20 -77.27 -41.86 39.32 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.906 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.525 ' HD1' HD13 ' A' ' 47' ' ' ILE . 33.4 t90 -63.94 -14.79 56.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.874 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.49 HG22 ' O ' ' A' ' 44' ' ' ILE . 33.8 mt -103.27 -9.86 9.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.089 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.576 HG23 ' O ' ' A' ' 41' ' ' LYS . 77.9 p -108.21 -56.05 2.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.16 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.778 HG22 ' O ' ' A' ' 42' ' ' GLU . 12.7 t -66.12 -17.74 64.9 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.183 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.589 HD11 ' CD1' ' B' ' 209' ' ' PHE . 3.2 mt -126.99 128.23 70.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.128 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 36.6 m -106.95 -28.1 10.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.809 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -111.8 79.99 2.78 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-O 121.571 0.7 . . . . 0.0 110.831 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 150.46 68.26 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.71 2.273 . . . . 0.0 112.351 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 49.4 mtm -101.82 156.91 17.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.843 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -51.79 -30.59 23.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.898 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -71.89 -48.32 46.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -58.22 -44.2 88.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.901 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 29.2 mt -71.81 -37.94 63.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.168 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.408 HD23 ' HA ' ' A' ' 56' ' ' LEU . 8.7 mt -58.3 -41.23 83.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.935 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 19.1 mm-40 -54.25 -31.37 53.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.9 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 13.1 t -72.77 -35.04 48.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.143 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.597 HG22 ' HA ' ' A' ' 100' ' ' ILE . 87.4 t -63.69 -51.49 69.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.082 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 24.5 mmm180 -60.06 -25.96 65.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.831 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.531 ' OH ' HG21 ' A' ' 36' ' ' VAL . 72.7 t80 -75.5 -52.27 11.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.93 -179.79 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 86.9 m -67.5 -45.45 75.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.859 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.534 HG22 HG11 ' A' ' 107' ' ' VAL . 42.0 p -56.23 -27.06 53.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.152 -179.832 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -73.56 -34.59 65.22 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.8 HD23 ' HB2' ' A' ' 74' ' ' LEU . 1.1 mp -58.57 -33.37 69.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.939 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.663 HD13 HG13 ' A' ' 107' ' ' VAL . 3.6 mt -65.24 -49.64 77.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.103 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -73.9 -23.91 59.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.954 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 45.8 mm-40 -90.68 -9.64 46.07 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.824 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 64.0 42.48 5.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 45.2 m-20 -116.25 36.31 4.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.869 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.536 HD11 ' CZ ' ' A' ' 112' ' ' TYR . 22.9 mt -57.05 -18.47 14.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.882 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 68.0 tt0 -50.24 -54.69 19.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.859 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.785 ' HE2' HD11 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -79.12 -22.76 44.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.874 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.8 ' HB2' HD23 ' A' ' 65' ' ' LEU . 44.6 tp -53.92 -55.99 21.85 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.95 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.31 -27.66 64.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.901 179.786 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.604 HD12 ' HA ' ' A' ' 73' ' ' LYS . 43.2 mt -76.72 -44.58 32.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.925 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.585 HG12 ' CE ' ' A' ' 81' ' ' MET . 92.8 t -69.92 -40.08 78.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.126 179.869 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.5 HD13 ' CE ' ' A' ' 81' ' ' MET . 30.5 mm -64.99 -54.14 33.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.053 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.451 ' HA ' ' HG2' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -63.63 -25.26 68.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.878 179.87 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.676 ' CE1' HD11 ' A' ' 84' ' ' LEU . 37.5 t80 -80.37 -43.77 20.55 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.585 ' CE ' HG12 ' A' ' 77' ' ' VAL . 14.3 ptp -74.22 -32.35 62.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.451 ' HG2' ' HA ' ' A' ' 79' ' ' LYS . 0.0 OUTLIER -70.82 -31.99 68.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.858 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 1.8 ptm180 -71.45 -28.54 64.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.876 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.724 HD13 ' HA ' ' A' ' 41' ' ' LYS . 17.0 mt -82.59 -53.96 5.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 22.1 mtt -57.54 -26.08 60.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 65.4 mt-30 -81.9 -42.07 20.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.867 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -83.81 1.96 40.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.888 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 95.9 p -62.44 -178.07 0.17 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.803 -179.737 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 3.1 p -99.78 -31.65 3.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.201 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.512 ' HB3' HG22 ' A' ' 92' ' ' VAL . 52.6 mm-40 -93.14 135.37 34.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.866 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.7 p -71.38 -24.71 62.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.89 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.512 HG22 ' HB3' ' A' ' 90' ' ' GLU . 19.1 m -58.93 -23.97 25.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.197 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 6.2 m95 -69.19 -35.44 76.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.932 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -56.88 -39.91 75.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.88 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 14.2 mtm -72.52 -34.61 67.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 179.834 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -53.56 -46.9 70.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.049 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.809 ' CZ ' HD11 ' A' ' 101' ' ' LEU . 21.4 t80 -59.52 -40.06 85.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.876 -179.885 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -67.01 -36.31 81.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.873 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 29.0 t80 -57.96 -47.83 81.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.904 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.597 ' HA ' HG22 ' A' ' 59' ' ' VAL . 6.9 mt -64.25 -39.71 86.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.142 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.809 HD11 ' CZ ' ' A' ' 97' ' ' PHE . 21.0 mt -68.87 -34.26 75.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.922 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -60.39 -28.77 68.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.872 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 38.3 m-80 -98.36 -36.89 9.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.513 HG23 ' O ' ' A' ' 100' ' ' ILE . 76.6 t -74.7 -60.03 2.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.184 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.835 ' HA ' HD23 ' A' ' 108' ' ' LEU . 17.1 mm-40 -49.24 -29.52 5.86 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.92 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 3.4 t -69.81 -53.74 22.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.155 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.663 HG13 HD13 ' A' ' 66' ' ' ILE . 7.1 p -68.62 -25.14 30.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.149 179.855 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.884 HD21 ' HA ' ' A' ' 115' ' ' THR . 0.1 OUTLIER -74.12 -39.37 63.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.88 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 109' ' ' GLN . . . . . 0.406 ' N ' ' HG ' ' A' ' 108' ' ' LEU . 15.3 mt-30 -66.1 -41.01 91.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.93 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 44.7 mt-30 -64.66 -14.67 59.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 72.8 m -95.39 -59.84 1.79 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.144 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' TYR . . . . . 0.536 ' CZ ' HD11 ' A' ' 71' ' ' LEU . 5.4 m-85 -104.43 -42.76 5.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 111.26 -14.33 28.18 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.523 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.594 ' O ' HD11 ' A' ' 108' ' ' LEU . 1.2 t -94.5 -172.53 2.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.943 0.401 . . . . 0.0 110.876 -179.827 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 115' ' ' THR . . . . . 0.884 ' HA ' HD21 ' A' ' 108' ' ' LEU . 72.4 p -152.51 178.93 9.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.186 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -77.46 155.34 31.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.935 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -112.66 99.2 7.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.91 179.869 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.403 ' O ' HG23 ' A' ' 118' ' ' VAL . 6.4 m -113.48 111.25 35.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.099 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 7.9 t . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.15 179.968 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 207' ' ' LYS . . . . . . . . . . . . . 3.5 tppp? . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.787 0.327 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 208' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -179.93 160.58 0.89 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.843 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 209' ' ' PHE . . . . . 0.589 ' CD1' HD11 ' A' ' 47' ' ' ILE . 73.4 t80 -67.58 -58.2 5.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.969 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 210' ' ' PHE . . . . . 0.628 ' HB3' ' HB2' ' A' ' 28' ' ' ALA . 64.7 m-85 -58.5 -25.22 62.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.931 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 211' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -75.77 -44.41 41.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.862 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 212' ' ' LYS . . . . . . . . . . . . . 21.0 ptmt -76.19 -22.66 55.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.86 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 213' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.94 -44.32 13.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.947 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 214' ' ' ARG . . . . . . . . . . . . . 18.0 ptp180 -62.55 -33.07 74.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.861 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 215' ' ' SER . . . . . 0.803 ' HA ' HD12 ' B' ' 218' ' ' ILE . 0.3 OUTLIER -52.36 -49.53 64.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.849 -179.808 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 216' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -65.58 -33.26 75.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.85 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 217' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.2 -41.62 76.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.893 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 218' ' ' ILE . . . . . 0.803 HD12 ' HA ' ' B' ' 215' ' ' SER . 10.4 mt -56.14 -39.65 60.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.137 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 219' ' ' SER . . . . . . . . . . . . . 26.0 t -72.56 135.19 45.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 220' ' ' ASN . . . . . . . . . . . . . 15.8 p30 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.886 -179.944 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.075 0 CA-C-O 120.746 0.308 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.578 ' HB1' ' HD2' ' A' ' 25' ' ' PRO . . . -70.61 160.5 81.44 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.548 0.69 . . . . 0.0 111.099 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.578 ' HD2' ' HB1' ' A' ' 24' ' ' ALA . 52.9 Cg_endo -69.82 92.17 0.52 Allowed 'Trans proline' 0 N--CA 1.465 -0.193 0 C-N-CA 122.711 2.274 . . . . 0.0 112.314 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.504 ' CG ' HG22 ' A' ' 31' ' ' VAL . 2.9 m-20 -125.71 143.71 50.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.943 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.471 HD21 HD21 ' A' ' 40' ' ' LEU . 11.6 tp -96.43 105.75 17.88 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.936 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.679 ' HB1' ' HB3' ' B' ' 214' ' ' ARG . . . 56.51 41.02 29.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.142 179.784 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 87.16 0.28 85.3 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.476 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.546 ' HB2' HD11 ' A' ' 39' ' ' LEU . . . -91.19 109.85 21.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.85 0.357 . . . . 0.0 111.119 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.504 HG22 ' CG ' ' A' ' 26' ' ' ASN . 23.3 t -92.11 -41.11 12.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.16 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.456 ' O ' HG23 ' A' ' 36' ' ' VAL . 50.5 mm-40 -70.72 133.91 47.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.92 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 46.9 t80 -52.12 -49.54 63.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.916 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.78 -37.68 52.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.812 -179.805 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -74.58 -29.62 61.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.879 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.456 HG23 ' O ' ' A' ' 32' ' ' GLU . 92.0 t -72.18 -55.32 13.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.136 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.5 ' HA ' HD12 ' A' ' 40' ' ' LEU . 6.7 pttt -57.87 -31.83 67.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.824 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 53.1 m -67.42 -39.4 85.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.17 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.546 HD11 ' HB2' ' A' ' 30' ' ' ALA . 14.4 mt -67.31 -37.81 83.95 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.936 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.5 HD12 ' HA ' ' A' ' 37' ' ' LYS . 8.9 mt -72.02 -44.94 62.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.726 ' HA ' HD13 ' A' ' 84' ' ' LEU . 8.2 ttpt -52.77 -43.65 65.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.955 179.769 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.786 ' O ' HG22 ' A' ' 46' ' ' THR . 13.8 pt-20 -77.37 -40.83 42.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.847 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.487 ' HD1' HD13 ' A' ' 47' ' ' ILE . 35.5 t90 -63.52 -15.06 56.87 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.898 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.455 HG22 ' O ' ' A' ' 44' ' ' ILE . 34.9 mt -102.52 -13.08 8.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.137 179.879 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.593 HG23 ' O ' ' A' ' 41' ' ' LYS . 76.5 p -103.81 -55.67 2.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.147 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.786 HG22 ' O ' ' A' ' 42' ' ' GLU . 13.2 t -68.07 -16.84 64.19 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.133 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.564 HD12 HG23 ' A' ' 46' ' ' THR . 3.2 mt -129.03 125.44 62.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.178 179.861 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -106.87 -26.07 11.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.857 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 89.7 m-20 -114.11 80.07 5.34 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.612 0.72 . . . . 0.0 110.813 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.83 158.31 57.29 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.648 2.232 . . . . 0.0 112.353 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 69.6 mtm -105.13 172.23 6.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.888 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.516 ' O ' HD23 ' A' ' 56' ' ' LEU . 6.9 tt0 -61.74 -62.0 2.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.867 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 13.6 mp0 -51.66 -30.58 22.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.882 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -68.68 -47.04 67.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.842 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 59.0 mt -71.64 -41.29 71.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.164 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.516 HD23 ' O ' ' A' ' 52' ' ' GLU . 4.0 mm? -52.33 -40.75 62.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.878 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -54.1 -32.57 55.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.972 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 13.8 t -73.31 -35.01 45.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.151 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.597 HG22 ' HA ' ' A' ' 100' ' ' ILE . 89.8 t -65.66 -51.24 64.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.167 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 13.3 mmt180 -58.77 -25.61 63.23 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.877 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 69.3 t80 -75.37 -52.0 11.8 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.957 -179.837 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 88.7 m -67.72 -46.25 72.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.883 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.584 HG23 HG22 ' A' ' 104' ' ' VAL . 36.8 p -55.74 -26.02 43.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.146 -179.848 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -73.61 -38.11 65.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.598 HD23 ' HB2' ' A' ' 74' ' ' LEU . 1.7 mp -54.83 -33.84 62.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.877 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.666 HD13 HG13 ' A' ' 107' ' ' VAL . 3.5 mt -63.42 -46.9 94.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.083 179.843 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 56.3 mm-40 -74.26 -32.41 62.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.877 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -83.42 -8.54 59.37 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.938 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 3.8 mmmm 64.15 39.88 7.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.891 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -113.11 36.59 3.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.82 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.448 HD11 ' CZ ' ' A' ' 112' ' ' TYR . 37.0 mt -53.83 -23.39 12.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.971 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -50.51 -48.51 57.02 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.901 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.736 ' HA ' HD12 ' A' ' 76' ' ' LEU . 7.0 mtpt -78.9 -22.79 45.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.914 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.598 ' HB2' HD23 ' A' ' 65' ' ' LEU . 28.2 tp -57.9 -59.92 4.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.919 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.65 ' HA ' HD21 ' A' ' 116' ' ' LEU . 1.1 t70 -54.98 -26.43 36.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.818 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.736 HD12 ' HA ' ' A' ' 73' ' ' LYS . 54.1 mt -76.9 -52.27 9.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.573 HG12 ' CE ' ' A' ' 81' ' ' MET . 89.5 t -65.7 -34.51 70.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.156 179.812 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.818 HG21 HD22 ' A' ' 116' ' ' LEU . 31.0 mm -70.27 -54.79 17.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.133 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.462 ' HA ' ' HG2' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -63.85 -25.14 68.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 179.848 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.677 ' CE1' HD11 ' A' ' 84' ' ' LEU . 38.0 t80 -81.0 -43.38 19.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.958 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.573 ' CE ' HG12 ' A' ' 77' ' ' VAL . 12.8 ptp -74.37 -32.01 62.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.909 179.84 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.462 ' HG2' ' HA ' ' A' ' 79' ' ' LYS . 0.0 OUTLIER -71.43 -32.21 68.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 2.3 ptm180 -70.77 -29.84 66.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.901 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.726 HD13 ' HA ' ' A' ' 41' ' ' LYS . 15.9 mt -82.15 -55.77 4.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.901 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 28.4 mtt -54.42 -26.61 31.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.94 179.806 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 59.1 mt-30 -79.1 -42.77 25.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.87 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -84.92 3.04 40.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.91 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.92 177.13 0.81 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.884 -179.768 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 3.4 p -95.71 -32.73 4.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.157 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.792 ' HB3' HG12 ' A' ' 92' ' ' VAL . 69.7 mm-40 -91.8 116.58 29.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.83 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.6 p -56.55 -25.02 50.86 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.872 -179.794 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.792 HG12 ' HB3' ' A' ' 90' ' ' GLU . 11.0 p -55.88 -29.07 25.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.157 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 5.6 m95 -62.95 -35.03 78.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.878 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 10.9 m120 -57.56 -42.3 82.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.917 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 15.7 mtm -72.56 -31.57 65.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.862 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -58.38 -44.48 88.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.092 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.78 ' CZ ' HD11 ' A' ' 101' ' ' LEU . 26.2 t80 -60.81 -43.93 97.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.92 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -62.48 -38.36 89.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.815 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 21.8 t80 -56.72 -48.5 77.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.597 ' HA ' HG22 ' A' ' 59' ' ' VAL . 7.8 mt -61.38 -42.26 93.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.101 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.78 HD11 ' CZ ' ' A' ' 97' ' ' PHE . 24.4 mt -67.96 -33.89 75.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.862 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -60.14 -29.34 68.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.917 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 16.8 m-80 -98.2 -36.82 9.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.834 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.584 HG22 HG23 ' A' ' 63' ' ' THR . 87.7 t -74.31 -60.31 2.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.189 179.865 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.834 ' HA ' HD23 ' A' ' 108' ' ' LEU . 17.7 mm-40 -49.28 -29.56 6.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.934 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 3.4 t -69.96 -53.1 25.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.162 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.666 HG13 HD13 ' A' ' 66' ' ' ILE . 7.7 p -68.97 -24.79 28.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.11 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.887 HD21 ' HA ' ' A' ' 115' ' ' THR . 0.1 OUTLIER -73.85 -39.17 64.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.925 179.964 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 109' ' ' GLN . . . . . 0.407 ' N ' ' HG ' ' A' ' 108' ' ' LEU . 27.8 mt-30 -65.61 -41.25 92.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.936 179.887 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 51.4 mt-30 -64.2 -15.06 59.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.922 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 65.9 m -95.5 -59.11 1.95 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.206 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' TYR . . . . . 0.448 ' CZ ' HD11 ' A' ' 71' ' ' LEU . 8.2 m-85 -105.06 -42.84 5.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.849 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 110.87 -14.54 29.1 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.529 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.6 ' O ' HD11 ' A' ' 108' ' ' LEU . 99.9 p -94.72 -172.78 2.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.949 0.404 . . . . 0.0 110.847 -179.727 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 115' ' ' THR . . . . . 0.887 ' HA ' HD21 ' A' ' 108' ' ' LEU . 69.1 p -152.42 -177.63 6.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.136 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.818 HD22 HG21 ' A' ' 78' ' ' ILE . 0.1 OUTLIER -93.75 155.01 17.46 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.909 179.948 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.5 98.13 7.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.949 179.819 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.404 HG23 ' O ' ' A' ' 118' ' ' VAL . 4.2 m -118.55 94.09 2.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.155 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.15 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 207' ' ' LYS . . . . . . . . . . . . . 7.5 ttpp . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.828 0.347 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 208' ' ' SER . . . . . . . . . . . . . 10.8 p -175.02 154.83 1.88 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 209' ' ' PHE . . . . . 0.504 ' CD1' HD11 ' A' ' 47' ' ' ILE . 71.0 t80 -64.25 -49.15 73.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.889 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 210' ' ' PHE . . . . . . . . . . . . . 56.5 m-85 -59.95 -27.02 66.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.822 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 211' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -72.18 -44.99 62.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 212' ' ' LYS . . . . . . . . . . . . . 8.4 pttt -76.17 -20.43 57.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.869 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 213' ' ' LYS . . . . . . . . . . . . . 1.6 tppt? -88.73 -38.23 14.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.923 179.827 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 214' ' ' ARG . . . . . 0.679 ' HB3' ' HB1' ' A' ' 28' ' ' ALA . 0.2 OUTLIER -73.35 -25.44 60.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.846 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 215' ' ' SER . . . . . . . . . . . . . 38.8 p -78.18 -25.8 47.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.877 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 216' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -67.95 -49.11 63.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.837 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 217' ' ' ARG . . . . . . . . . . . . . 12.8 ptm180 -63.56 -25.87 68.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.881 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 218' ' ' ILE . . . . . . . . . . . . . 60.8 mt -84.69 -62.92 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.116 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 219' ' ' SER . . . . . . . . . . . . . 10.3 p -175.05 143.04 0.68 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.847 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 220' ' ' ASN . . . . . . . . . . . . . 10.6 p-10 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.863 -179.954 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 C--O 1.231 0.141 0 CA-C-O 120.808 0.254 . . . . 0.0 112.325 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.638 ' ND2' HG22 ' A' ' 31' ' ' VAL . 1.5 m120 -124.43 141.14 52.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.828 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.453 HD22 HG13 ' A' ' 36' ' ' VAL . 2.5 tp -110.17 112.94 25.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.908 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.729 ' HB3' HD13 ' A' ' 39' ' ' LEU . . . 53.89 28.55 8.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.146 179.853 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 94.94 13.15 54.14 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.468 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.493 ' HB1' ' HB3' ' A' ' 35' ' ' ASP . . . -110.58 113.7 26.53 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.832 0.349 . . . . 0.0 111.062 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.638 HG22 ' ND2' ' A' ' 26' ' ' ASN . 18.4 t -91.48 -37.5 9.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.091 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.754 ' O ' HG23 ' A' ' 36' ' ' VAL . 37.4 mt-10 -71.37 143.37 50.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.876 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 37.5 t80 -58.84 -52.61 64.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.851 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.02 -37.0 42.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.89 -179.846 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.493 ' HB3' ' HB1' ' A' ' 30' ' ' ALA . 5.8 t0 -75.18 -31.51 60.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.884 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.754 HG23 ' O ' ' A' ' 32' ' ' GLU . 99.2 t -69.82 -57.41 8.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.052 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.723 ' HA ' HD12 ' A' ' 40' ' ' LEU . 6.5 pttt -55.13 -31.14 61.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.914 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 52.1 m -68.13 -38.76 82.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.09 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.729 HD13 ' HB3' ' A' ' 28' ' ' ALA . 67.0 mt -70.1 -35.29 74.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.723 HD12 ' HA ' ' A' ' 37' ' ' LYS . 6.4 mt -71.98 -47.27 53.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.938 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.654 ' HA ' HD13 ' A' ' 84' ' ' LEU . 7.8 ttpt -52.82 -44.37 66.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.871 179.795 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.788 ' O ' HG22 ' A' ' 46' ' ' THR . 11.9 pt-20 -75.91 -42.01 50.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.845 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.487 ' HD1' HD13 ' A' ' 47' ' ' ILE . 35.1 t90 -63.52 -14.82 54.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.418 HG22 ' O ' ' A' ' 44' ' ' ILE . 40.7 mt -102.33 -16.09 7.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.14 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.616 HG23 ' O ' ' A' ' 41' ' ' LYS . 74.1 p -100.04 -55.71 2.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.154 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.788 HG22 ' O ' ' A' ' 42' ' ' GLU . 13.2 t -66.32 -16.63 64.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.146 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.498 ' CD1' HG23 ' A' ' 46' ' ' THR . 3.3 mt -128.92 127.95 66.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.123 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 44.6 m -106.87 -24.32 12.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.833 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -113.86 79.13 4.41 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.609 0.719 . . . . 0.0 110.884 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 151.73 69.14 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.681 2.254 . . . . 0.0 112.326 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 74.6 mtm -101.32 163.85 12.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 45.7 tt0 -62.25 -34.97 77.54 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.877 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -66.62 -47.81 71.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.886 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -61.58 -47.56 84.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.893 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 48.8 mt -64.47 -30.41 50.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.108 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.9 mt -64.74 -38.21 90.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.915 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 5.5 mm-40 -54.01 -30.93 49.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.925 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 15.0 t -71.34 -34.87 55.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.116 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.512 HG22 ' HA ' ' A' ' 100' ' ' ILE . 98.0 t -64.46 -50.36 76.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.135 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 26.0 mmm180 -59.59 -26.83 65.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.904 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 72.5 t80 -75.5 -53.62 8.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.869 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . 0.417 ' HB2' HG21 ' A' ' 104' ' ' VAL . 21.2 m -65.11 -43.28 92.52 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.861 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.748 HG22 HG11 ' A' ' 107' ' ' VAL . 38.0 p -58.05 -28.32 64.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.159 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -74.02 -36.88 64.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.634 HD23 ' HB2' ' A' ' 74' ' ' LEU . 2.1 mp -54.02 -32.67 55.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.899 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.613 HD13 HG13 ' A' ' 107' ' ' VAL . 5.4 mt -64.85 -47.66 87.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.136 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -73.79 -34.23 64.55 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.859 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -81.83 -9.5 59.59 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.907 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 4.6 mmtm 63.76 39.92 8.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.915 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 53.6 m-20 -110.57 35.37 3.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 18.0 mt -53.27 -25.33 14.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.962 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -50.51 -46.62 57.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.923 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.788 ' HA ' HD12 ' A' ' 76' ' ' LEU . 5.8 mtpt -79.06 -22.92 44.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.89 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.634 ' HB2' HD23 ' A' ' 65' ' ' LEU . 22.5 tp -57.77 -62.18 1.98 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -54.58 -26.5 32.75 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.831 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.788 HD12 ' HA ' ' A' ' 73' ' ' LYS . 50.4 mt -76.97 -44.04 32.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.887 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.578 HG12 ' CE ' ' A' ' 81' ' ' MET . 85.2 t -71.29 -42.05 74.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.103 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.821 HG21 HD22 ' A' ' 116' ' ' LEU . 39.2 mm -59.08 -57.22 12.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.111 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.09 -34.27 75.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.892 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.63 ' CE1' HD11 ' A' ' 84' ' ' LEU . 56.5 t80 -66.13 -53.54 36.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.872 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . 0.578 ' CE ' HG12 ' A' ' 77' ' ' VAL . 12.4 ptp -65.84 -27.42 68.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.873 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.89 -57.61 11.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.926 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 12.2 ptt180 -53.64 -26.84 23.98 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.873 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.654 HD13 ' HA ' ' A' ' 41' ' ' LYS . 31.4 mt -81.44 -54.09 5.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.879 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 27.5 mtt -61.03 -27.83 68.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.872 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 22.6 mm-40 -80.17 -50.0 10.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.963 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -69.17 -19.3 64.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.928 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 10.0 m -52.11 149.03 5.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.856 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 3.2 p -71.07 -32.07 46.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.16 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.66 ' HB3' HG22 ' A' ' 92' ' ' VAL . 3.0 mm-40 -85.26 125.63 33.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.916 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 9.7 p -71.53 -23.62 61.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.852 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.66 HG22 ' HB3' ' A' ' 90' ' ' GLU . 29.5 m -56.39 -24.29 18.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.162 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 24.4 m95 -65.36 -35.88 82.33 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.928 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -56.11 -39.94 72.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.908 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 23.0 mtm -70.8 -40.1 72.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -53.03 -40.83 64.2 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.096 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.665 ' CZ ' HD11 ' A' ' 101' ' ' LEU . 40.2 t80 -59.35 -47.82 83.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.891 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -64.57 -35.83 82.24 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.86 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 26.9 t80 -58.86 -44.14 90.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.895 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.512 ' HA ' HG22 ' A' ' 59' ' ' VAL . 11.6 mt -69.21 -39.36 79.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.12 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.665 HD11 ' CZ ' ' A' ' 97' ' ' PHE . 25.7 mt -68.51 -34.75 76.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.931 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -59.82 -26.79 66.06 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.821 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 28.3 m-80 -97.82 -40.41 8.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.417 HG21 ' HB2' ' A' ' 62' ' ' CYS . 76.3 t -71.85 -58.9 4.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.223 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.825 ' HA ' HD23 ' A' ' 108' ' ' LEU . 14.4 mm-40 -49.2 -29.24 5.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.933 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 5.3 t -71.38 -56.15 11.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.174 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.748 HG11 HG22 ' A' ' 63' ' ' THR . 5.8 p -65.01 -26.06 39.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.131 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.864 HD21 ' HA ' ' A' ' 115' ' ' THR . 0.1 OUTLIER -74.21 -38.55 63.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.951 179.874 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 15.5 mt-30 -67.1 -41.3 86.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.926 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 53.5 mt-30 -63.78 -14.91 56.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.866 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 60.5 m -95.81 -60.6 1.61 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.12 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' TYR . . . . . 0.49 ' CE1' HG23 ' A' ' 66' ' ' ILE . 11.3 m-85 -102.66 -42.7 5.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.948 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 111.58 -14.54 27.33 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.486 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . 0.595 ' O ' HD11 ' A' ' 108' ' ' LEU . 36.3 m -93.33 -175.77 3.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.968 0.413 . . . . 0.0 110.837 -179.757 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . 0.864 ' HA ' HD21 ' A' ' 108' ' ' LEU . 70.8 p -152.68 -178.03 6.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.159 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.821 HD22 HG21 ' A' ' 78' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--N 1.327 -0.391 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.903 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 208' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.906 0.384 . . . . 0.0 110.835 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 209' ' ' PHE . . . . . 0.45 ' CD1' HD11 ' A' ' 47' ' ' ILE . 81.6 t80 -53.98 -40.98 67.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.896 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 210' ' ' PHE . . . . . 0.441 ' CD1' ' HB2' ' A' ' 28' ' ' ALA . 18.4 m-85 -65.05 -26.55 68.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.849 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 211' ' ' ASP . . . . . . . . . . . . . 42.3 t0 -75.3 -46.71 31.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.906 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 212' ' ' LYS . . . . . . . . . . . . . 10.4 pttt -72.17 -24.89 61.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.885 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 213' ' ' LYS . . . . . . . . . . . . . 4.7 tppt? -82.96 -45.25 14.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.908 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 214' ' ' ARG . . . . . . . . . . . . . 43.4 ptt85 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.856 179.935 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo . . . . . 0 N--CA 1.465 -0.188 0 CA-C-O 120.771 0.238 . . . . 0.0 112.375 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.641 ' ND2' HG22 ' A' ' 31' ' ' VAL . 2.6 m120 -119.18 135.28 54.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.875 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.504 HD21 HD21 ' A' ' 40' ' ' LEU . 8.5 tp -110.38 113.68 26.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.906 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.458 ' HB2' ' HB3' ' B' ' 210' ' ' PHE . . . 55.98 25.91 9.32 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.052 179.756 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 95.1 13.1 53.92 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.528 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.562 ' HB2' HD11 ' A' ' 39' ' ' LEU . . . -107.73 113.87 27.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.842 0.353 . . . . 0.0 111.106 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.641 HG22 ' ND2' ' A' ' 26' ' ' ASN . 22.4 t -93.27 -30.01 4.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.117 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.755 ' O ' HG23 ' A' ' 36' ' ' VAL . 63.5 mt-10 -77.56 142.41 39.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.852 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 37.3 t80 -57.79 -52.91 63.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.869 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.6 p -51.68 -36.6 47.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.859 -179.794 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 61.3 m-20 -75.38 -30.5 60.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.863 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.755 HG23 ' O ' ' A' ' 32' ' ' GLU . 96.5 t -70.26 -57.2 8.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.113 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.759 ' HA ' HD12 ' A' ' 40' ' ' LEU . 5.2 pttt -55.38 -30.57 60.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.924 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 51.7 m -65.92 -45.95 80.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.128 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.562 HD11 ' HB2' ' A' ' 30' ' ' ALA . 8.7 mt -64.82 -32.87 74.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.926 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.759 HD12 ' HA ' ' A' ' 37' ' ' LYS . 11.8 mt -72.06 -48.92 40.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.912 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.668 ' HA ' HD13 ' A' ' 84' ' ' LEU . 0.1 OUTLIER -52.77 -41.71 64.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.904 179.782 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.777 ' O ' HG22 ' A' ' 46' ' ' THR . 23.9 pt-20 -77.35 -41.98 38.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.858 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.507 ' HD1' HD13 ' A' ' 47' ' ' ILE . 35.3 t90 -64.04 -14.83 57.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.888 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.465 HG22 ' O ' ' A' ' 44' ' ' ILE . 34.8 mt -102.51 -12.38 8.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.125 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.574 HG23 ' O ' ' A' ' 41' ' ' LYS . 74.1 p -104.93 -55.48 2.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.126 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.777 HG22 ' O ' ' A' ' 42' ' ' GLU . 12.7 t -67.86 -17.46 64.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.217 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.507 HD13 ' HD1' ' A' ' 43' ' ' TRP . 3.4 mt -127.95 127.24 67.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.183 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -106.87 -25.39 11.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.897 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -115.07 80.33 6.91 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.715 0.769 . . . . 0.0 110.878 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 157.8 59.09 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.669 2.246 . . . . 0.0 112.316 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 32.9 mtm -106.25 160.18 15.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.885 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -56.22 -34.16 66.05 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.944 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 -66.68 -51.51 55.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.891 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -57.06 -49.15 76.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.9 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 60.8 mt -62.91 -31.83 53.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.106 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' A' ' 56' ' ' LEU . 10.4 mt -64.65 -40.08 94.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.905 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 43.5 mt-30 -54.03 -29.97 45.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.865 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 14.3 t -72.98 -34.78 46.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.141 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.52 HG22 ' HA ' ' A' ' 100' ' ' ILE . 94.1 t -64.69 -46.87 91.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.093 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -62.14 -32.41 73.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.861 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.401 ' CZ ' HG11 ' A' ' 36' ' ' VAL . 43.2 t80 -71.29 -48.92 47.83 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.875 -179.864 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . 0.409 ' HB2' HG21 ' A' ' 104' ' ' VAL . 15.3 m -67.88 -44.93 75.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.839 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.768 HG22 HG11 ' A' ' 107' ' ' VAL . 40.2 p -59.64 -25.09 64.4 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.158 -179.774 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -74.07 -36.7 64.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.919 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.654 HD23 ' HB2' ' A' ' 74' ' ' LEU . 1.3 mp -54.18 -38.05 65.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.913 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.61 HD13 HG13 ' A' ' 107' ' ' VAL . 5.7 mt -61.39 -45.21 99.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.097 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 35.2 mm-40 -73.7 -36.62 65.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.885 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -83.44 -0.67 51.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.868 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 55.56 40.78 31.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.906 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -112.07 32.97 5.12 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.815 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.649 HD11 ' CE2' ' A' ' 112' ' ' TYR . 31.0 mt -51.95 -24.41 6.43 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.964 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -49.93 -45.49 51.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.941 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.723 ' HA ' HD12 ' A' ' 76' ' ' LEU . 4.6 mttt -79.41 -24.47 42.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.877 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.654 ' HB2' HD23 ' A' ' 65' ' ' LEU . 32.2 tp -55.44 -60.73 3.01 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.889 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -54.16 -27.04 31.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.849 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.723 HD12 ' HA ' ' A' ' 73' ' ' LYS . 53.9 mt -76.87 -46.83 23.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.921 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.569 HG12 ' CE ' ' A' ' 81' ' ' MET . 90.6 t -68.86 -38.94 79.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.126 179.864 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.971 HG21 HD22 ' A' ' 116' ' ' LEU . 34.9 mm -63.2 -57.79 10.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.156 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.46 -32.25 72.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.874 179.85 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.591 ' CE1' HD11 ' A' ' 84' ' ' LEU . 53.7 t80 -67.03 -55.89 12.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.868 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . 0.569 ' CE ' HG12 ' A' ' 77' ' ' VAL . 12.3 ptp -63.93 -27.36 69.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.842 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.39 -57.48 12.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.878 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 3.4 ptm180 -53.85 -26.18 23.23 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.86 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.668 HD13 ' HA ' ' A' ' 41' ' ' LYS . 52.6 mt -81.92 -53.23 6.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 20.2 mtt -62.8 -25.93 68.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.891 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 20.6 mm-40 -83.32 -46.0 13.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.851 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -74.99 -7.85 54.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.93 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 96.6 p -57.57 -178.44 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.813 -179.775 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.4 HG13 ' HG2' ' A' ' 90' ' ' GLU . 2.7 p -104.36 -31.67 2.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.135 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.658 ' HB3' HG22 ' A' ' 92' ' ' VAL . 7.2 mm-40 -90.35 120.9 31.87 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.939 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.1 t -61.84 -19.33 62.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.807 -179.739 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.658 HG22 ' HB3' ' A' ' 90' ' ' GLU . 26.4 m -60.77 -31.48 49.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.132 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 10.7 m95 -59.83 -38.79 83.02 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.888 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -56.55 -35.47 68.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.903 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 22.0 mtm -72.49 -40.9 66.53 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.88 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -52.95 -39.97 63.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.073 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.667 ' CZ ' HD11 ' A' ' 101' ' ' LEU . 40.8 t80 -59.99 -48.29 82.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.898 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -63.32 -37.14 86.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.894 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 21.9 t80 -59.01 -46.89 87.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.953 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.52 ' HA ' HG22 ' A' ' 59' ' ' VAL . 16.7 mt -65.66 -38.31 82.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.103 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.667 HD11 ' CZ ' ' A' ' 97' ' ' PHE . 24.2 mt -70.33 -33.68 71.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.899 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -60.07 -26.69 66.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.823 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -97.95 -39.66 8.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.926 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.43 HG23 ' O ' ' A' ' 100' ' ' ILE . 80.0 t -72.62 -58.74 4.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.129 179.859 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.818 ' HA ' HD23 ' A' ' 108' ' ' LEU . 12.8 mm-40 -49.02 -29.25 4.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 7.4 t -71.43 -55.95 12.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.151 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.768 HG11 HG22 ' A' ' 63' ' ' THR . 5.9 p -65.17 -26.37 39.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.167 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.883 HD21 ' HA ' ' A' ' 115' ' ' THR . 0.1 OUTLIER -74.28 -38.64 63.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.879 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -67.09 -40.66 86.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.937 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 56.0 mt-30 -64.07 -15.1 58.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.883 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 52.7 m -95.7 -60.73 1.59 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.136 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' TYR . . . . . 0.649 ' CE2' HD11 ' A' ' 71' ' ' LEU . 6.3 m-85 -102.54 -42.47 5.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.994 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 111.41 -14.51 27.76 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.678 -0.773 . . . . 0.0 112.42 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . 0.577 ' O ' HD11 ' A' ' 108' ' ' LEU . 0.8 OUTLIER -93.01 -176.33 4.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.012 0.434 . . . . 0.0 110.79 -179.666 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . 0.883 ' HA ' HD21 ' A' ' 108' ' ' LEU . 75.0 p -152.53 176.75 11.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.165 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.971 HD22 HG21 ' A' ' 78' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.859 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 208' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.916 0.389 . . . . 0.0 110.833 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 209' ' ' PHE . . . . . 0.492 ' CD1' HD11 ' A' ' 47' ' ' ILE . 61.4 t80 -65.25 -58.62 5.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.921 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 210' ' ' PHE . . . . . 0.458 ' HB3' ' HB2' ' A' ' 28' ' ' ALA . 30.9 m-85 -57.37 -24.62 56.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.885 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 211' ' ' ASP . . . . . . . . . . . . . 66.0 m-20 -76.51 -44.26 35.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.825 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 212' ' ' LYS . . . . . . . . . . . . . 16.0 ptmt -77.43 -18.98 56.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 213' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.79 -46.31 9.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.845 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 214' ' ' ARG . . . . . . . . . . . . . 15.2 ptt180 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.831 -179.928 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo . . . . . 0 C--O 1.231 0.132 0 CA-C-O 120.804 0.252 . . . . 0.0 112.298 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.654 ' ND2' HG22 ' A' ' 31' ' ' VAL . 1.5 m120 -126.2 135.24 51.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.878 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.541 HD21 HD21 ' A' ' 40' ' ' LEU . 9.1 tp -106.44 110.88 23.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.922 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 55.32 28.19 11.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.146 179.789 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 95.04 12.79 54.74 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.477 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.472 ' HB2' HD11 ' A' ' 39' ' ' LEU . . . -108.22 110.76 22.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.815 0.341 . . . . 0.0 111.065 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.654 HG22 ' ND2' ' A' ' 26' ' ' ASN . 21.3 t -91.89 -25.52 5.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.104 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.708 ' O ' HG23 ' A' ' 36' ' ' VAL . 22.7 mt-10 -82.83 140.4 32.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.832 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 44.8 t80 -55.96 -53.67 54.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.871 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.49 -36.45 44.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.926 -179.806 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 47.8 t0 -75.06 -31.49 61.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.881 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.708 HG23 ' O ' ' A' ' 32' ' ' GLU . 97.2 t -69.72 -56.77 10.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.108 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.789 ' HA ' HD12 ' A' ' 40' ' ' LEU . 6.6 pttt -55.5 -31.81 62.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.903 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 54.6 m -64.81 -45.54 85.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.182 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.472 HD11 ' HB2' ' A' ' 30' ' ' ALA . 13.8 mt -64.85 -32.69 74.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.919 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.789 HD12 ' HA ' ' A' ' 37' ' ' LYS . 10.3 mt -72.56 -49.98 28.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.935 179.822 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.645 ' HA ' HD13 ' A' ' 84' ' ' LEU . 0.4 OUTLIER -52.62 -40.82 63.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.872 179.865 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.787 ' O ' HG22 ' A' ' 46' ' ' THR . 26.5 pt-20 -77.14 -36.78 55.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.889 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.556 ' HD1' HD13 ' A' ' 47' ' ' ILE . 29.5 t90 -70.36 -15.1 62.82 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.973 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.639 HG22 ' O ' ' A' ' 44' ' ' ILE . 19.3 mt -106.16 6.38 10.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.149 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.516 HG23 ' O ' ' A' ' 41' ' ' LYS . 44.6 p -122.35 -54.81 1.87 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.187 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.787 HG22 ' O ' ' A' ' 42' ' ' GLU . 13.5 t -74.47 -6.92 51.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.2 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.556 HD13 ' HD1' ' A' ' 43' ' ' TRP . 3.2 mt -136.74 128.65 43.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.096 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.3 p -106.85 -25.36 11.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.828 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -112.25 78.44 2.5 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.593 0.711 . . . . 0.0 110.909 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 137.24 34.96 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.645 2.23 . . . . 0.0 112.348 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 10.9 ttm -86.65 156.54 19.96 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.823 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.452 ' O ' HD23 ' A' ' 56' ' ' LEU . 7.1 tt0 -57.13 -50.36 73.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.926 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 28.2 tp10 -51.79 -33.55 35.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.934 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -75.24 -39.72 59.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.818 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 60.1 mt -68.18 -44.4 84.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.168 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.452 HD23 ' O ' ' A' ' 52' ' ' GLU . 4.2 mm? -51.65 -38.51 55.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -54.24 -31.8 54.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.932 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 13.2 t -73.22 -34.51 44.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.139 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.441 ' O ' HG23 ' A' ' 63' ' ' THR . 98.8 t -66.3 -49.92 72.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.097 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 19.1 mmt180 -59.63 -27.28 66.19 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.814 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 72.6 t80 -74.94 -53.9 8.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.956 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . 0.424 ' HB2' HG21 ' A' ' 104' ' ' VAL . 19.5 m -64.77 -43.45 93.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.899 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.743 HG22 HG11 ' A' ' 107' ' ' VAL . 40.6 p -58.83 -27.27 64.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.159 -179.856 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -74.05 -36.41 64.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.85 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.634 HD23 ' HB2' ' A' ' 74' ' ' LEU . 1.7 mp -54.17 -36.92 63.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.926 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.6 HD13 HG13 ' A' ' 107' ' ' VAL . 5.6 mt -60.8 -47.32 93.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.131 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -73.83 -33.26 64.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.935 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -84.58 -1.87 56.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.852 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 4.3 mmmm 56.61 41.17 28.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -112.2 32.77 5.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.86 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.596 HD21 ' HA ' ' A' ' 66' ' ' ILE . 20.4 mt -53.14 -23.92 9.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.922 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -50.5 -47.14 57.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.856 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.726 ' HA ' HD12 ' A' ' 76' ' ' LEU . 0.6 OUTLIER -78.8 -23.42 45.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.634 ' HB2' HD23 ' A' ' 65' ' ' LEU . 22.7 tp -55.78 -61.87 2.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.921 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.46 ' OD1' HD21 ' A' ' 116' ' ' LEU . 1.1 m-20 -53.74 -27.24 27.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.869 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.726 HD12 ' HA ' ' A' ' 73' ' ' LYS . 52.5 mt -76.5 -45.42 31.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.98 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.501 HG12 ' CE ' ' A' ' 81' ' ' MET . 90.5 t -69.76 -39.29 77.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.107 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.43 ' HA ' ' HE3' ' A' ' 81' ' ' MET . 37.6 mm -63.09 -57.52 11.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.176 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.22 -33.07 72.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.858 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.615 ' CE1' HD11 ' A' ' 84' ' ' LEU . 55.1 t80 -66.35 -56.31 11.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.923 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . 0.501 ' CE ' HG12 ' A' ' 77' ' ' VAL . 12.3 ptp -63.39 -27.18 69.13 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.942 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.89 -57.39 12.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.914 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 2.9 ptm180 -54.5 -26.16 29.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.84 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.645 HD13 ' HA ' ' A' ' 41' ' ' LYS . 58.2 mt -81.38 -54.38 5.52 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.901 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 25.8 mtt -61.74 -28.46 69.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.92 179.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 22.4 mm-40 -79.07 -47.49 16.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -72.18 -17.98 61.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.918 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 3.6 m -51.98 153.59 2.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.8 -179.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 3.8 p -76.28 -32.74 22.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.164 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.675 ' HB3' HG12 ' A' ' 92' ' ' VAL . 2.1 mm-40 -86.07 129.53 34.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.92 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 52.0 p -71.47 -25.93 62.5 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.868 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.675 HG12 ' HB3' ' A' ' 90' ' ' GLU . 11.3 p -54.82 -27.32 18.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.167 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 19.4 m95 -63.77 -37.76 88.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.912 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 8.3 m-80 -59.17 -35.29 73.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.912 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 21.3 mtm -72.33 -41.26 66.7 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.928 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -53.1 -40.04 63.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.11 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.66 ' CZ ' HD11 ' A' ' 101' ' ' LEU . 38.8 t80 -58.58 -51.4 70.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.866 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -61.14 -38.3 85.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 25.8 t80 -57.77 -47.76 81.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.902 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.422 ' HA ' HG22 ' A' ' 59' ' ' VAL . 19.5 mt -65.22 -39.97 87.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.104 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.66 HD11 ' CZ ' ' A' ' 97' ' ' PHE . 22.7 mt -67.84 -34.91 77.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.879 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -59.56 -25.4 64.53 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 29.3 m-80 -97.98 -42.04 7.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.84 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.424 HG21 ' HB2' ' A' ' 62' ' ' CYS . 74.8 t -71.14 -58.4 5.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.091 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.818 ' HA ' HD23 ' A' ' 108' ' ' LEU . 15.9 mm-40 -49.19 -29.15 5.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.938 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 5.9 t -71.69 -55.67 12.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.177 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.743 HG11 HG22 ' A' ' 63' ' ' THR . 5.2 p -65.47 -26.5 39.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.065 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.864 HD21 ' HA ' ' A' ' 115' ' ' THR . 0.1 OUTLIER -74.27 -38.57 63.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 179.95 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . 0.402 ' N ' ' HG ' ' A' ' 108' ' ' LEU . 26.1 mt-30 -67.54 -41.21 84.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.936 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 -64.04 -14.79 56.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.92 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 71.4 m -95.55 -60.85 1.57 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.164 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' TYR . . . . . 0.534 ' CE1' HD11 ' A' ' 71' ' ' LEU . 11.3 m-85 -102.17 -42.6 6.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.924 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 111.86 -14.39 26.69 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.528 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . 0.585 ' O ' HD11 ' A' ' 108' ' ' LEU . 1.2 t -93.98 -174.72 3.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.956 0.408 . . . . 0.0 110.838 -179.74 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . 0.864 ' HA ' HD21 ' A' ' 108' ' ' LEU . 74.9 p -152.64 -179.5 7.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.217 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.46 HD21 ' OD1' ' A' ' 75' ' ' ASP . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.855 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 208' ' ' SER . . . . . . . . . . . . . 1.1 p . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.855 0.36 . . . . 0.0 110.84 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 209' ' ' PHE . . . . . . . . . . . . . 42.1 t80 -67.48 -37.95 83.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.912 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 210' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -65.93 -24.54 66.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.891 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 211' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -75.16 -41.02 59.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 212' ' ' LYS . . . . . . . . . . . . . 11.8 ptmt -77.73 -18.55 56.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.931 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 213' ' ' LYS . . . . . . . . . . . . . 2.0 tmtt? -88.0 -41.23 13.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.906 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 214' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.815 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 N--CA 1.466 -0.131 0 CA-C-O 120.811 0.254 . . . . 0.0 112.341 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.557 ' ND2' HG22 ' A' ' 31' ' ' VAL . 1.4 m120 -125.27 139.36 53.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.92 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.424 HD22 HG13 ' A' ' 36' ' ' VAL . 10.6 tp -105.72 113.56 27.2 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.936 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 55.37 27.57 10.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.038 179.806 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 94.42 12.99 55.35 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.519 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.557 ' HB2' HD11 ' A' ' 39' ' ' LEU . . . -105.5 111.89 24.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.743 0.306 . . . . 0.0 111.101 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.557 HG22 ' ND2' ' A' ' 26' ' ' ASN . 37.4 t -91.03 -32.18 5.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.13 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.523 ' O ' HG23 ' A' ' 36' ' ' VAL . 8.7 mt-10 -80.26 137.74 36.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.949 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 41.7 t80 -53.35 -50.89 64.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -51.99 -37.02 51.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.864 -179.795 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 80.7 m-20 -74.41 -29.88 61.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.901 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.565 HG21 ' OH ' ' A' ' 61' ' ' TYR . 96.3 t -71.51 -56.07 11.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.068 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.671 ' HA ' HD12 ' A' ' 40' ' ' LEU . 5.7 pttt -57.14 -30.37 64.37 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 57.5 m -69.5 -37.71 77.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.134 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.557 HD11 ' HB2' ' A' ' 30' ' ' ALA . 21.0 mt -70.2 -36.05 74.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.927 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.671 HD12 ' HA ' ' A' ' 37' ' ' LYS . 5.7 mt -72.22 -45.94 58.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.874 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.647 ' HA ' HD13 ' A' ' 84' ' ' LEU . 10.8 ttpt -53.24 -42.7 66.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.872 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.783 ' O ' HG22 ' A' ' 46' ' ' THR . 13.0 pt-20 -77.22 -42.26 38.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.833 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.503 ' HD1' HD13 ' A' ' 47' ' ' ILE . 35.6 t90 -63.65 -14.56 53.01 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.863 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.426 HG22 ' O ' ' A' ' 44' ' ' ILE . 45.1 mt -102.57 -15.26 7.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.048 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.591 HG23 ' O ' ' A' ' 41' ' ' LYS . 74.4 p -101.41 -55.89 2.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.128 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.783 HG22 ' O ' ' A' ' 42' ' ' GLU . 12.9 t -66.27 -16.41 64.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.138 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.627 HD11 ' CD1' ' B' ' 209' ' ' PHE . 3.3 mt -128.76 127.01 66.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.128 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -106.7 -25.57 11.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.835 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -112.65 78.32 2.73 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.553 0.692 . . . . 0.0 110.8 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 148.87 66.03 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.729 2.286 . . . . 0.0 112.325 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 18.3 mtm -95.38 155.89 16.55 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -55.07 -40.28 70.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.908 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -64.79 -49.23 71.51 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.888 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -55.26 -43.75 74.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.458 HG23 HD11 ' A' ' 100' ' ' ILE . 60.4 mt -69.26 -30.94 47.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.182 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.7 mt -64.29 -36.25 83.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.917 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 3.1 mm100 -54.6 -31.31 56.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.953 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 14.6 t -71.8 -34.62 52.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.142 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.52 HG22 ' HA ' ' A' ' 100' ' ' ILE . 92.9 t -63.03 -52.15 62.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.099 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 25.1 mmt180 -59.6 -25.81 64.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.86 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.565 ' OH ' HG21 ' A' ' 36' ' ' VAL . 74.2 t80 -75.27 -52.24 11.34 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.953 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 39.5 m -67.27 -46.24 74.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.88 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.768 HG22 HG11 ' A' ' 107' ' ' VAL . 35.0 p -52.84 -28.17 21.67 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.122 -179.872 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 58.9 m-20 -73.68 -38.6 64.84 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.837 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.826 HD23 ' HB2' ' A' ' 74' ' ' LEU . 1.0 OUTLIER -54.08 -31.72 52.7 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.892 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.622 HD13 HG13 ' A' ' 107' ' ' VAL . 5.6 mt -66.82 -49.64 72.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.041 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 48.3 mm-40 -73.17 -24.24 60.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.911 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -90.85 -10.95 40.8 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.889 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 59.4 mmtt 64.66 42.18 4.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.95 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -114.4 37.41 3.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.865 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 22.5 mt -57.67 -17.97 17.92 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.939 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -50.25 -55.7 14.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.961 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.678 ' HA ' HD12 ' A' ' 76' ' ' LEU . 0.0 OUTLIER -78.59 -22.38 47.18 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.93 179.93 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.826 ' HB2' HD23 ' A' ' 65' ' ' LEU . 44.3 tp -54.42 -57.27 11.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.92 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.78 -26.6 64.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.915 179.833 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.678 HD12 ' HA ' ' A' ' 73' ' ' LYS . 56.6 mt -76.79 -43.45 36.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.49 HG12 ' CE ' ' A' ' 81' ' ' MET . 92.6 t -69.03 -39.46 79.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.158 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.867 HG21 HD22 ' A' ' 116' ' ' LEU . 34.4 mm -63.16 -57.71 10.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.124 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.19 -32.17 71.93 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.637 ' CE1' HD11 ' A' ' 84' ' ' LEU . 60.3 t80 -67.36 -56.43 9.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.936 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . 0.573 ' HA ' HD12 ' A' ' 84' ' ' LEU . 11.7 ptp -62.68 -27.52 69.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.89 179.85 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.52 -57.73 11.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 3.5 ptm180 -54.41 -25.67 26.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.869 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.647 HD13 ' HA ' ' A' ' 41' ' ' LYS . 43.1 mt -81.62 -53.65 6.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.927 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 19.4 mtt -63.31 -26.08 68.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.944 179.815 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 19.1 mm-40 -81.91 -42.18 19.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.919 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -80.6 -5.54 56.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 92.9 p -57.36 -179.17 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.824 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 2.7 p -104.18 -32.59 2.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.137 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.772 ' HB3' HG12 ' A' ' 92' ' ' VAL . 68.4 mm-40 -91.92 119.48 31.72 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.801 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -56.66 -24.98 52.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.8 -179.772 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.772 HG12 ' HB3' ' A' ' 90' ' ' GLU . 14.0 p -54.78 -32.06 25.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.098 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 7.9 m95 -61.25 -37.64 83.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.881 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 7.4 m120 -57.79 -38.46 75.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.909 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 33.8 mtm -72.47 -38.1 68.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.859 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -53.08 -43.48 66.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.12 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.663 ' CZ ' HD11 ' A' ' 101' ' ' LEU . 39.1 t80 -57.52 -46.64 83.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.953 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -65.32 -36.12 83.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.892 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 23.6 t80 -59.14 -43.23 92.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.52 ' HA ' HG22 ' A' ' 59' ' ' VAL . 13.1 mt -70.21 -38.51 74.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.102 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.663 HD11 ' CZ ' ' A' ' 97' ' ' PHE . 24.0 mt -69.41 -34.25 74.21 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.893 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -60.34 -27.3 67.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.864 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 9.1 m-80 -97.86 -38.61 9.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.944 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.458 HG23 ' O ' ' A' ' 100' ' ' ILE . 79.2 t -73.2 -59.07 3.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.16 179.831 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.829 ' HA ' HD23 ' A' ' 108' ' ' LEU . 14.4 mm-40 -49.18 -29.25 5.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 5.1 t -70.59 -57.06 8.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.187 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.768 HG11 HG22 ' A' ' 63' ' ' THR . 5.6 p -64.52 -25.28 37.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.144 179.852 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.865 HD21 ' HA ' ' A' ' 115' ' ' THR . 0.1 OUTLIER -74.41 -38.99 62.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 -179.964 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . 0.4 ' N ' ' HG ' ' A' ' 108' ' ' LEU . 23.0 mt-30 -66.89 -41.44 87.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.922 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -63.2 -15.52 57.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.904 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 57.1 m -95.67 -60.89 1.55 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.114 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -102.16 -43.03 5.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.86 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 111.48 -14.37 27.63 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.448 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . 0.578 ' O ' HD11 ' A' ' 108' ' ' LEU . 1.2 t -93.21 -176.39 4.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.971 0.415 . . . . 0.0 110.89 -179.779 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . 0.865 ' HA ' HD21 ' A' ' 108' ' ' LEU . 70.8 p -152.74 -178.02 6.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.093 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.867 HD22 HG21 ' A' ' 78' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.945 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 208' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.923 0.392 . . . . 0.0 110.822 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 209' ' ' PHE . . . . . 0.627 ' CD1' HD11 ' A' ' 47' ' ' ILE . 70.7 t80 -56.02 -47.58 77.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.89 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 210' ' ' PHE . . . . . . . . . . . . . 40.2 m-85 -59.66 -24.36 63.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.854 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 211' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -76.73 -44.29 33.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.857 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 212' ' ' LYS . . . . . . . . . . . . . 11.6 pttt -77.37 -18.79 57.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.892 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 213' ' ' LYS . . . . . . . . . . . . . 8.7 tmtt? -86.67 -44.77 11.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.898 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 214' ' ' ARG . . . . . . . . . . . . . 38.4 ptt85 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.86 179.986 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 N--CA 1.465 -0.158 0 CA-C-O 120.733 0.222 . . . . 0.0 112.302 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.587 ' ND2' HG22 ' A' ' 31' ' ' VAL . 2.2 m120 -118.3 136.36 53.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.902 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.552 HD12 ' CG ' ' A' ' 61' ' ' TYR . 0.5 OUTLIER -107.19 114.94 29.3 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.954 179.919 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.537 ' HB3' HD13 ' A' ' 39' ' ' LEU . . . 56.56 29.01 14.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.116 179.775 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 90.56 12.97 60.36 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.426 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.543 ' HB2' HD11 ' A' ' 39' ' ' LEU . . . -107.78 117.4 34.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.862 0.363 . . . . 0.0 111.065 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.587 HG22 ' ND2' ' A' ' 26' ' ' ASN . 21.9 t -93.64 -45.26 13.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.069 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.644 ' O ' HG23 ' A' ' 36' ' ' VAL . 15.7 mt-10 -67.14 136.82 55.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.879 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 31.1 t80 -52.55 -51.52 59.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.822 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 74.2 p -51.71 -37.13 49.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.799 -179.727 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 68.6 m-20 -74.52 -29.47 61.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.853 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.644 HG23 ' O ' ' A' ' 32' ' ' GLU . 40.8 t -71.26 -56.88 9.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.184 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.75 ' HA ' HD12 ' A' ' 40' ' ' LEU . 3.0 ptmt -56.32 -34.56 66.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.947 179.842 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 51.7 m -62.99 -40.08 96.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.127 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.543 HD11 ' HB2' ' A' ' 30' ' ' ALA . 44.1 mt -66.56 -36.75 83.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.957 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.75 HD12 ' HA ' ' A' ' 37' ' ' LYS . 5.8 mt -71.95 -46.06 58.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.928 179.849 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.63 ' HA ' HD13 ' A' ' 84' ' ' LEU . 12.0 ttpt -52.7 -43.29 65.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.844 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.779 ' O ' HG22 ' A' ' 46' ' ' THR . 13.6 pt-20 -77.26 -42.83 35.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.834 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.493 ' HD1' HD13 ' A' ' 47' ' ' ILE . 38.9 t90 -63.58 -14.94 56.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.873 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.443 HG22 ' O ' ' A' ' 44' ' ' ILE . 53.3 mt -101.94 -14.68 8.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.128 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.572 HG23 ' O ' ' A' ' 41' ' ' LYS . 69.6 p -102.65 -55.86 2.36 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.136 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.779 HG22 ' O ' ' A' ' 42' ' ' GLU . 12.8 t -65.61 -16.71 63.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.1 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.506 HD11 ' CD1' ' B' ' 209' ' ' PHE . 3.3 mt -127.91 133.98 66.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.156 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -107.37 -33.11 7.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.805 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -110.75 82.68 3.07 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.523 0.678 . . . . 0.0 110.791 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 144.55 54.16 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.627 2.218 . . . . 0.0 112.377 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 9.0 ttp -89.09 159.76 17.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.896 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 81.0 tt0 -56.49 -51.44 68.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.92 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 66.7 mm-40 -52.31 -50.95 61.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.911 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -55.17 -47.11 75.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.905 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.405 HG23 HD11 ' A' ' 100' ' ' ILE . 57.1 mt -65.71 -30.77 51.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.151 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 7.1 mt -66.61 -35.54 80.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.955 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 3.5 mm-40 -54.1 -31.73 52.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.864 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 13.9 t -71.66 -34.64 52.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.112 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.496 HG22 ' HA ' ' A' ' 100' ' ' ILE . 97.5 t -63.77 -52.89 51.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.099 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 12.7 mmm180 -59.44 -26.56 65.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.89 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.552 ' CG ' HD12 ' A' ' 27' ' ' LEU . 72.1 t80 -75.53 -53.78 8.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.973 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . 0.421 ' HB2' HG21 ' A' ' 104' ' ' VAL . 17.6 m -65.44 -43.44 90.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.918 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.754 HG22 HG11 ' A' ' 107' ' ' VAL . 39.4 p -56.9 -27.15 60.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.132 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 62.0 m-20 -74.21 -37.25 63.92 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.819 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.62 HD23 ' HB2' ' A' ' 74' ' ' LEU . 1.9 mp -54.52 -33.74 60.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.856 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.601 HD13 HG13 ' A' ' 107' ' ' VAL . 5.4 mt -63.88 -47.89 88.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.119 179.841 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -73.73 -33.08 64.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.829 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -82.89 -8.43 59.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.829 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 3.2 mmmt 63.3 38.8 10.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -109.98 35.68 3.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.91 179.832 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.45 HD11 ' CZ ' ' A' ' 112' ' ' TYR . 19.3 mt -53.27 -24.88 12.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.904 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -50.46 -47.79 56.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.845 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.782 ' HA ' HD12 ' A' ' 76' ' ' LEU . 5.5 mtpt -78.73 -22.63 46.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.62 ' HB2' HD23 ' A' ' 65' ' ' LEU . 24.0 tp -58.02 -61.72 2.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.92 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.517 ' HA ' HD11 ' A' ' 116' ' ' LEU . 1.2 m-20 -54.27 -27.02 32.28 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.852 179.836 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.782 HD12 ' HA ' ' A' ' 73' ' ' LYS . 47.3 mt -76.72 -47.73 20.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.906 -179.878 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.492 HG23 ' O ' ' A' ' 73' ' ' LYS . 87.1 t -68.2 -37.75 78.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.12 179.822 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.705 HG21 HD22 ' A' ' 116' ' ' LEU . 33.7 mm -65.1 -57.34 11.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.155 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.83 -30.36 70.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.875 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.622 ' CE1' HD11 ' A' ' 84' ' ' LEU . 56.8 t80 -68.48 -56.72 7.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.907 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . 0.475 ' HA ' HD12 ' A' ' 84' ' ' LEU . 12.9 ptp -62.35 -27.36 69.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.831 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.03 -57.4 13.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.934 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 3.7 ptm180 -54.66 -26.35 32.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.864 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.63 HD13 ' HA ' ' A' ' 41' ' ' LYS . 66.4 mt -80.72 -54.66 5.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.914 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 26.9 mtt -62.01 -28.63 69.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.844 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -78.84 -48.49 14.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.939 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -69.3 -19.88 63.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.951 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 21.8 m -51.75 152.96 2.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.806 -179.758 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.556 HG13 ' CD ' ' A' ' 90' ' ' GLU . 3.5 p -77.02 -33.05 20.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.211 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.556 ' CD ' HG13 ' A' ' 89' ' ' VAL . 46.8 mp0 -84.75 128.77 34.77 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.897 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 4.4 p -71.67 -24.39 61.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.839 -179.76 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.516 HG12 ' HB3' ' A' ' 90' ' ' GLU . 10.8 p -54.78 -26.33 16.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.132 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 37.4 m95 -65.66 -33.46 75.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.943 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 7.8 m-80 -60.85 -35.91 77.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.905 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 18.0 mtm -72.52 -39.8 67.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.877 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -53.48 -44.05 68.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.173 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.668 ' CZ ' HD11 ' A' ' 101' ' ' LEU . 32.1 t80 -56.57 -49.45 74.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.932 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.0 -35.89 81.73 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.819 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 19.4 t80 -60.66 -44.8 96.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.857 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.496 ' HA ' HG22 ' A' ' 59' ' ' VAL . 21.2 mt -68.78 -38.26 78.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.11 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.668 HD11 ' CZ ' ' A' ' 97' ' ' PHE . 21.3 mt -70.47 -33.98 71.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.935 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -59.79 -25.98 65.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.851 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 30.3 m-80 -97.81 -41.33 8.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.837 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.421 HG21 ' HB2' ' A' ' 62' ' ' CYS . 75.1 t -71.36 -58.5 5.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.151 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.818 ' HA ' HD23 ' A' ' 108' ' ' LEU . 14.3 mm-40 -49.04 -29.32 4.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.984 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 6.2 t -71.5 -55.41 13.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.112 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.754 HG11 HG22 ' A' ' 63' ' ' THR . 5.6 p -65.96 -25.47 36.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.14 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.855 HD21 ' HA ' ' A' ' 115' ' ' THR . 0.1 OUTLIER -74.17 -38.72 63.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.003 179.894 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -66.85 -41.11 87.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.944 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -63.36 -15.68 58.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.922 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 52.7 m -95.75 -60.48 1.64 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.145 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' TYR . . . . . 0.45 ' CZ ' HD11 ' A' ' 71' ' ' LEU . 9.5 m-85 -102.44 -43.11 5.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.97 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 111.09 -14.35 28.59 Favored Glycine 0 C--N 1.331 0.298 0 C-N-CA 120.659 -0.781 . . . . 0.0 112.498 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . 0.59 ' O ' HD11 ' A' ' 108' ' ' LEU . 94.4 p -93.31 -177.7 4.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.941 0.4 . . . . 0.0 110.908 -179.768 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . 0.855 ' HA ' HD21 ' A' ' 108' ' ' LEU . 82.1 p -152.64 170.81 19.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.14 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.705 HD22 HG21 ' A' ' 78' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 208' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.232 0.168 0 CA-C-O 120.818 0.342 . . . . 0.0 110.909 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 209' ' ' PHE . . . . . 0.506 ' CD1' HD11 ' A' ' 47' ' ' ILE . 65.1 t80 -61.92 -36.86 82.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 210' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 -67.66 -25.83 65.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.91 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 211' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -75.72 -42.53 50.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.834 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 212' ' ' LYS . . . . . . . . . . . . . 11.2 ptpt -77.22 -24.99 51.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.866 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 213' ' ' LYS . . . . . 0.472 ' HG2' HD22 ' A' ' 39' ' ' LEU . 0.4 OUTLIER -77.92 -34.29 51.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.905 179.895 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 214' ' ' ARG . . . . . . . . . . . . . 2.2 ptm180 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.827 -179.932 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo . . . . . 0 C--O 1.231 0.139 0 CA-C-O 120.787 0.245 . . . . 0.0 112.347 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.615 ' ND2' HG22 ' A' ' 31' ' ' VAL . 1.7 m120 -118.38 135.31 54.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.969 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.623 HD22 HG13 ' A' ' 36' ' ' VAL . 7.5 tp -98.81 102.84 14.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.881 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.419 ' HB1' ' HB3' ' B' ' 214' ' ' ARG . . . 58.4 36.11 25.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.14 179.805 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 94.97 -7.88 70.11 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.465 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.455 ' HB2' HD11 ' A' ' 39' ' ' LEU . . . -88.66 111.14 21.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.842 0.353 . . . . 0.0 111.132 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.615 HG22 ' ND2' ' A' ' 26' ' ' ASN . 24.9 t -93.43 -37.65 8.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.141 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.561 ' O ' HG23 ' A' ' 36' ' ' VAL . 65.9 mt-10 -73.22 141.96 47.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.863 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 37.8 t80 -54.82 -51.53 65.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.896 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.8 p -52.04 -37.13 52.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.872 -179.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 83.3 m-20 -73.29 -29.98 63.09 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.861 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.675 HG21 ' OH ' ' A' ' 61' ' ' TYR . 97.5 t -72.01 -56.72 9.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.092 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.703 ' HA ' HD12 ' A' ' 40' ' ' LEU . 3.5 ptmt -56.43 -31.88 64.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.936 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 52.1 m -67.92 -38.45 82.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.113 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.455 HD11 ' HB2' ' A' ' 30' ' ' ALA . 65.2 mt -70.47 -35.44 73.31 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.86 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.703 HD12 ' HA ' ' A' ' 37' ' ' LYS . 6.8 mt -71.98 -46.68 56.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.925 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.675 ' HA ' HD13 ' A' ' 84' ' ' LEU . 3.5 ttpt -53.01 -43.08 66.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.836 179.827 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.775 ' O ' HG22 ' A' ' 46' ' ' THR . 12.1 pt-20 -76.89 -42.25 40.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.89 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.471 ' HD1' HD13 ' A' ' 47' ' ' ILE . 36.8 t90 -63.48 -14.84 54.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.91 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.413 HG22 ' O ' ' A' ' 44' ' ' ILE . 42.8 mt -101.93 -16.26 7.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.116 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.599 HG23 ' O ' ' A' ' 41' ' ' LYS . 77.5 p -100.26 -55.52 2.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.125 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.775 HG22 ' O ' ' A' ' 42' ' ' GLU . 13.1 t -66.45 -16.35 64.04 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.121 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.555 HD11 ' CD1' ' B' ' 209' ' ' PHE . 3.4 mt -129.67 126.24 62.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.129 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.5 m -106.87 -25.43 11.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.774 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -113.35 78.69 3.56 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.581 0.705 . . . . 0.0 110.861 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 153.01 69.25 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.707 2.271 . . . . 0.0 112.339 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 40.6 mtm -100.38 161.04 13.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.889 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -57.53 -36.4 71.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.872 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -67.38 -50.45 59.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -55.29 -51.44 66.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.777 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.487 HG23 HD11 ' A' ' 100' ' ' ILE . 57.9 mt -63.16 -30.74 50.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.157 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 5.3 mt -66.31 -37.82 86.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.883 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 24.1 mm100 -54.11 -29.53 45.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.881 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 15.2 t -73.3 -34.65 44.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.1 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.522 HG22 ' HA ' ' A' ' 100' ' ' ILE . 97.4 t -62.0 -52.16 63.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.132 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 30.8 mmt180 -59.5 -25.24 64.29 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.877 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.675 ' OH ' HG21 ' A' ' 36' ' ' VAL . 67.8 t80 -75.55 -52.22 11.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.857 -179.821 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 42.1 m -67.25 -45.91 75.31 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.884 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.774 HG22 HG11 ' A' ' 107' ' ' VAL . 38.0 p -54.03 -27.84 34.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.1 -179.836 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 75.2 m-20 -73.73 -37.85 64.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.88 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.817 HD23 ' HB2' ' A' ' 74' ' ' LEU . 0.9 OUTLIER -54.23 -35.84 62.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.909 -179.936 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.616 HD13 HG13 ' A' ' 107' ' ' VAL . 5.2 mt -61.52 -49.3 84.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.115 179.84 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -73.18 -30.42 63.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.886 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -86.09 -2.82 58.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.964 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER 56.46 43.22 26.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.905 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -114.49 33.51 5.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.821 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.603 HD11 ' CE2' ' A' ' 112' ' ' TYR . 20.9 mt -57.06 -18.18 13.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.926 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 18.7 tp10 -49.85 -54.66 18.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.918 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.762 ' HA ' HD12 ' A' ' 76' ' ' LEU . 0.0 OUTLIER -78.56 -22.75 46.73 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.954 179.941 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.817 ' HB2' HD23 ' A' ' 65' ' ' LEU . 38.0 tp -53.16 -52.39 58.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.12 -27.89 69.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.873 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.762 HD12 ' HA ' ' A' ' 73' ' ' LYS . 36.1 mt -76.17 -39.83 53.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.906 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 90.5 t -73.31 -45.95 51.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.149 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.747 HG21 HD22 ' A' ' 116' ' ' LEU . 28.8 mm -55.83 -55.16 19.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.149 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.52 -35.7 81.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.885 179.821 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.664 ' CE1' HD11 ' A' ' 84' ' ' LEU . 52.0 t80 -64.12 -50.34 68.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.94 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . 0.583 ' HA ' HD12 ' A' ' 84' ' ' LEU . 10.7 ptp -67.76 -27.51 66.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.934 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.36 -57.22 13.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.896 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 4.7 ptm180 -53.66 -27.22 26.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.675 HD13 ' HA ' ' A' ' 41' ' ' LYS . 27.9 mt -81.24 -54.07 5.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.957 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 21.1 mtt -60.66 -29.41 69.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.931 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -78.21 -50.12 12.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.865 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -69.55 -18.53 63.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 7.2 m -51.67 151.37 3.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.833 -179.772 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 3.4 p -74.09 -32.06 31.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.198 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.621 ' HB3' HG12 ' A' ' 92' ' ' VAL . 2.4 mm-40 -84.57 126.62 33.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.877 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 2.2 t -71.61 -25.89 62.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.839 -179.752 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.621 HG12 ' HB3' ' A' ' 90' ' ' GLU . 10.8 p -55.02 -26.88 18.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.086 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 14.9 m95 -61.85 -34.84 76.71 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.961 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 7.3 m-80 -57.26 -38.78 74.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.863 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 23.2 mtm -72.47 -38.79 68.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.926 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -53.09 -45.33 68.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.061 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.619 ' CZ ' HD11 ' A' ' 101' ' ' LEU . 39.7 t80 -56.68 -46.58 81.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.859 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 42.8 t0 -65.24 -35.64 81.66 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 28.1 t80 -60.12 -45.06 94.26 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.912 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.522 ' HA ' HG22 ' A' ' 59' ' ' VAL . 13.0 mt -68.58 -38.45 79.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.136 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.619 HD11 ' CZ ' ' A' ' 97' ' ' PHE . 24.2 mt -69.49 -34.21 73.99 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.97 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -60.05 -27.57 67.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.815 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 10.8 m-80 -97.74 -39.13 9.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.849 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.46 HG23 ' O ' ' A' ' 100' ' ' ILE . 78.1 t -72.65 -58.96 3.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.093 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.831 ' HA ' HD23 ' A' ' 108' ' ' LEU . 13.7 mm-40 -49.07 -29.33 4.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.948 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 5.6 t -70.63 -57.15 8.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.109 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.774 HG11 HG22 ' A' ' 63' ' ' THR . 5.4 p -64.36 -25.73 38.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.108 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.864 HD21 ' HA ' ' A' ' 115' ' ' THR . 0.1 OUTLIER -74.34 -38.75 63.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.925 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 14.9 mt-30 -67.13 -41.33 86.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.926 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 45.9 mt-30 -63.86 -14.84 56.53 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.924 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 54.6 m -96.13 -60.27 1.66 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.134 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' TYR . . . . . 0.603 ' CE2' HD11 ' A' ' 71' ' ' LEU . 11.1 m-85 -102.69 -42.82 5.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.917 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 111.44 -14.5 27.69 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.486 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . 0.575 ' O ' HD11 ' A' ' 108' ' ' LEU . 0.9 OUTLIER -94.08 -175.29 3.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.854 0.359 . . . . 0.0 110.917 -179.773 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . 0.864 ' HA ' HD21 ' A' ' 108' ' ' LEU . 67.2 p -152.61 176.35 11.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.13 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.747 HD22 HG21 ' A' ' 78' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.932 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 208' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.913 0.387 . . . . 0.0 110.889 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 209' ' ' PHE . . . . . 0.555 ' CD1' HD11 ' A' ' 47' ' ' ILE . 73.7 t80 -77.39 -40.81 42.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.961 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 210' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 -63.06 -25.38 68.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.86 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 211' ' ' ASP . . . . . . . . . . . . . 15.1 t0 -74.75 -47.23 32.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.86 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 212' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -70.55 -25.33 63.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 213' ' ' LYS . . . . . . . . . . . . . 10.3 tppt? -82.95 -53.37 5.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.919 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 214' ' ' ARG . . . . . 0.419 ' HB3' ' HB1' ' A' ' 28' ' ' ALA . 11.8 ptp180 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.885 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo . . . . . 0 N--CA 1.466 -0.121 0 CA-C-O 120.81 0.254 . . . . 0.0 112.344 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.606 ' ND2' HG22 ' A' ' 31' ' ' VAL . 1.2 m120 -128.13 135.26 49.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.876 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.661 HD21 HD21 ' A' ' 40' ' ' LEU . 4.4 tp -103.07 110.86 22.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 55.11 28.05 10.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.086 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 95.03 13.11 54.13 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.492 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.502 ' HB2' HD11 ' A' ' 39' ' ' LEU . . . -108.12 110.47 22.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.865 0.364 . . . . 0.0 111.058 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.606 HG22 ' ND2' ' A' ' 26' ' ' ASN . 21.9 t -89.68 -34.02 6.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.123 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.746 ' O ' HG23 ' A' ' 36' ' ' VAL . 29.3 mt-10 -73.15 144.64 46.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.907 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 37.0 t80 -60.19 -52.77 63.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.881 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 13.5 p -52.15 -36.48 51.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.819 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 42.1 t0 -73.8 -29.66 62.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.885 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.746 HG23 ' O ' ' A' ' 32' ' ' GLU . 94.9 t -72.2 -56.28 10.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.14 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.476 ' HA ' HD12 ' A' ' 40' ' ' LEU . 3.6 ptmt -57.13 -33.51 67.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.854 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 54.2 m -65.77 -38.32 88.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.129 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.502 HD11 ' HB2' ' A' ' 30' ' ' ALA . 19.8 mt -70.43 -36.5 74.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.925 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.661 HD21 HD21 ' A' ' 27' ' ' LEU . 12.5 mt -71.86 -44.14 64.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.883 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.711 ' HA ' HD13 ' A' ' 84' ' ' LEU . 14.4 ttpt -52.0 -46.25 64.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.937 179.855 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.78 ' O ' HG22 ' A' ' 46' ' ' THR . 19.8 pt-20 -77.4 -40.6 43.08 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.83 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.482 ' HD1' HD13 ' A' ' 47' ' ' ILE . 32.2 t90 -63.07 -15.38 56.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.925 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.42 HG22 ' O ' ' A' ' 44' ' ' ILE . 45.6 mt -102.04 -15.6 7.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.142 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.605 HG23 ' O ' ' A' ' 41' ' ' LYS . 82.8 p -100.66 -56.0 2.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.113 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.78 HG22 ' O ' ' A' ' 42' ' ' GLU . 13.4 t -65.9 -14.39 61.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.072 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.613 HD11 ' CD1' ' B' ' 209' ' ' PHE . 3.4 mt -130.33 128.07 63.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.122 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -107.01 -26.41 11.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.851 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -114.74 80.98 6.83 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.613 0.721 . . . . 0.0 110.844 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 149.92 67.08 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.721 2.281 . . . . 0.0 112.243 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 6.3 mtp -98.3 152.16 19.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -54.59 -28.91 49.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.952 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -71.07 -42.23 69.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.825 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -69.38 -45.77 68.51 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.895 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 54.9 mt -64.35 -32.59 58.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.209 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 8.2 mt -63.03 -39.39 94.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.872 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 8.0 mm-40 -54.11 -30.98 50.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.891 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 15.0 t -71.85 -34.5 51.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.165 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.57 HG22 ' HA ' ' A' ' 100' ' ' ILE . 92.4 t -65.44 -52.06 56.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.085 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 17.6 mmm180 -59.51 -25.67 64.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.827 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.426 ' OH ' HG21 ' A' ' 36' ' ' VAL . 59.2 t80 -75.08 -52.65 10.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.935 -179.849 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 34.6 m -66.89 -45.84 76.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.859 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.713 HG22 HG11 ' A' ' 107' ' ' VAL . 36.0 p -53.81 -28.2 33.93 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.09 -179.809 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 39.4 m-20 -73.85 -38.18 64.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.897 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.826 HD23 ' HB2' ' A' ' 74' ' ' LEU . 0.9 OUTLIER -53.86 -30.56 46.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.965 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.612 HD13 HG13 ' A' ' 107' ' ' VAL . 5.9 mt -67.83 -47.03 81.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.201 179.798 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 37.0 mm-40 -73.12 -28.25 62.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 60.2 mm-40 -88.76 -11.22 45.63 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.895 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 48.4 mmtt 64.81 42.87 4.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.917 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -113.64 36.61 3.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.806 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.426 HD11 ' CE2' ' A' ' 112' ' ' TYR . 22.2 mt -57.24 -18.51 16.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.882 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 48.5 tt0 -49.91 -54.46 19.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.8 ' HE2' HD11 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -78.89 -22.19 46.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.862 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.826 ' HB2' HD23 ' A' ' 65' ' ' LEU . 36.7 tp -54.68 -58.01 9.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.941 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -57.21 -27.67 62.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.666 HD12 ' HA ' ' A' ' 73' ' ' LYS . 47.0 mt -76.6 -43.86 36.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.854 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.523 HG12 ' CE ' ' A' ' 81' ' ' MET . 90.9 t -70.36 -40.18 77.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.156 179.825 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.76 HG21 HD22 ' A' ' 116' ' ' LEU . 32.8 mm -63.67 -55.16 24.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.141 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.444 ' HA ' ' HG2' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -63.23 -25.57 68.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.944 179.775 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.669 ' CE1' HD11 ' A' ' 84' ' ' LEU . 38.4 t80 -79.05 -43.53 24.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.89 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . 0.534 ' CE ' HD13 ' A' ' 78' ' ' ILE . 14.2 ptp -74.94 -31.93 61.62 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.922 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.444 ' HG2' ' HA ' ' A' ' 79' ' ' LYS . 0.0 OUTLIER -70.66 -31.82 68.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.917 179.886 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 10.1 ptt85 -71.97 -29.57 64.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.863 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.711 HD13 ' HA ' ' A' ' 41' ' ' LYS . 17.6 mt -82.35 -55.3 4.59 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.943 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 37.2 mtt -55.23 -26.53 40.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.864 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 59.4 mt-30 -80.21 -51.12 9.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.962 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -71.04 -10.04 59.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.923 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -55.66 177.05 0.05 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 -179.81 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 3.1 p -96.97 -32.73 4.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.161 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.702 ' HB3' HG12 ' A' ' 92' ' ' VAL . 77.7 mm-40 -85.5 125.73 33.28 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.916 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 5.4 p -66.82 -27.54 67.64 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.702 HG12 ' HB3' ' A' ' 90' ' ' GLU . 6.9 p -54.93 -27.41 18.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.169 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 11.1 m95 -63.29 -34.15 77.05 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.973 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 11.6 m-80 -57.82 -42.24 83.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.912 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 23.9 mtm -72.59 -38.09 67.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -53.15 -43.29 66.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.075 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.825 ' CZ ' HD11 ' A' ' 101' ' ' LEU . 24.4 t80 -61.28 -41.98 97.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.819 -179.867 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -67.82 -33.61 75.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.847 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 31.6 t80 -59.13 -45.27 91.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.855 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.57 ' HA ' HG22 ' A' ' 59' ' ' VAL . 6.0 mt -67.5 -42.41 86.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.188 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.825 HD11 ' CZ ' ' A' ' 97' ' ' PHE . 7.0 mt -66.2 -35.0 79.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.955 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -60.24 -27.77 67.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.877 179.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 13.7 m-80 -98.33 -37.8 9.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.444 HG23 ' O ' ' A' ' 100' ' ' ILE . 84.1 t -74.57 -59.83 2.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.099 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.816 ' HA ' HD23 ' A' ' 108' ' ' LEU . 8.3 mm-40 -49.0 -28.88 4.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.905 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 3.9 t -70.9 -57.14 8.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.124 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.713 HG11 HG22 ' A' ' 63' ' ' THR . 5.9 p -63.95 -25.15 37.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.136 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.829 HD21 ' HA ' ' A' ' 115' ' ' THR . 0.1 OUTLIER -74.09 -39.24 63.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 179.931 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . 0.404 ' N ' ' HG ' ' A' ' 108' ' ' LEU . 17.5 mt-30 -66.23 -41.09 90.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.951 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 -64.09 -14.95 58.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.87 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 53.2 m -95.77 -60.95 1.54 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.142 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' TYR . . . . . 0.426 ' CE2' HD11 ' A' ' 71' ' ' LEU . 11.1 m-85 -101.33 -43.18 6.03 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.952 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 104.98 42.42 1.8 Allowed Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.502 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 3.0 m -153.04 178.31 9.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.0 0.429 . . . . 0.0 110.855 -179.779 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . 0.829 ' HA ' HD21 ' A' ' 108' ' ' LEU . 58.7 p -151.74 145.01 24.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.193 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.76 HD22 HG21 ' A' ' 78' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.886 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 208' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.898 0.38 . . . . 0.0 110.835 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 209' ' ' PHE . . . . . 0.613 ' CD1' HD11 ' A' ' 47' ' ' ILE . 82.7 t80 -67.69 -43.17 80.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.846 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 210' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 -60.37 -24.38 65.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 211' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -76.83 -44.26 33.08 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.808 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 212' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -77.29 -19.16 56.84 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.918 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 213' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -84.89 -44.0 13.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.935 179.855 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 214' ' ' ARG . . . . . . . . . . . . . 7.6 ptm180 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.858 179.984 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo . . . . . 0 C--O 1.23 0.103 0 CA-C-O 120.789 0.245 . . . . 0.0 112.388 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.529 ' ND2' HG22 ' A' ' 31' ' ' VAL . 1.8 m120 -123.83 145.82 48.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.857 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.514 HD21 HD21 ' A' ' 40' ' ' LEU . 12.8 tp -102.56 113.76 27.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.916 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.407 ' HB1' ' HB3' ' B' ' 214' ' ' ARG . . . 55.58 27.26 10.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.097 179.813 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 95.04 12.99 54.5 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.516 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.466 ' HB2' HD11 ' A' ' 39' ' ' LEU . . . -104.6 117.83 35.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.778 0.323 . . . . 0.0 111.058 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.529 HG22 ' ND2' ' A' ' 26' ' ' ASN . 31.6 t -94.58 -40.57 11.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.136 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.553 ' O ' HG23 ' A' ' 36' ' ' VAL . 37.7 mt-10 -69.81 136.3 50.64 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.886 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 48.4 t80 -55.19 -49.78 71.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.849 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -51.74 -37.8 52.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.871 -179.825 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -74.16 -29.57 61.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.861 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.553 HG23 ' O ' ' A' ' 32' ' ' GLU . 93.0 t -71.57 -57.25 7.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.186 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.555 ' HA ' HD12 ' A' ' 40' ' ' LEU . 6.5 pttt -56.48 -31.87 64.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.936 179.833 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 53.8 m -67.74 -38.75 83.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.149 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.466 HD11 ' HB2' ' A' ' 30' ' ' ALA . 10.8 mt -69.72 -36.06 75.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.904 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.555 HD12 ' HA ' ' A' ' 37' ' ' LYS . 10.2 mt -72.05 -45.97 58.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.938 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.717 ' HA ' HD13 ' A' ' 84' ' ' LEU . 11.1 ttpt -52.94 -42.88 65.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.907 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.772 ' O ' HG22 ' A' ' 46' ' ' THR . 13.1 pt-20 -77.21 -41.97 39.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.915 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.506 ' HD1' HD13 ' A' ' 47' ' ' ILE . 35.8 t90 -63.14 -15.41 56.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.928 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.449 HG22 ' O ' ' A' ' 44' ' ' ILE . 40.0 mt -101.93 -13.69 8.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.125 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.587 HG23 ' O ' ' A' ' 41' ' ' LYS . 71.4 p -103.65 -56.14 2.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.08 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.772 HG22 ' O ' ' A' ' 42' ' ' GLU . 13.1 t -64.92 -15.98 62.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.181 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.665 HD11 ' CD1' ' B' ' 209' ' ' PHE . 3.2 mt -127.35 130.36 70.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.078 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 58.6 m -107.39 -28.92 9.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.872 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -111.24 81.42 2.88 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.609 0.719 . . . . 0.0 110.898 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.85 138.49 37.65 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.663 2.242 . . . . 0.0 112.329 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 49.9 mtm -85.92 157.43 20.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -58.21 -40.24 81.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.898 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 39.6 tp10 -65.27 -46.76 79.18 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -57.39 -50.48 72.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.908 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 60.4 mt -64.43 -31.42 53.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.163 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.5 mt -63.19 -39.34 94.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.919 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 15.2 mm-40 -53.87 -32.28 52.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 16.1 t -71.0 -34.51 55.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.08 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.635 HG22 ' HA ' ' A' ' 100' ' ' ILE . 82.0 t -62.19 -51.68 69.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.159 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 12.8 mmm180 -58.85 -25.6 63.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.854 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 69.2 t80 -74.71 -52.69 10.91 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.916 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 67.5 m -67.75 -46.12 72.99 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.828 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.565 HG22 ' HA ' ' A' ' 104' ' ' VAL . 74.5 p -55.09 -26.61 39.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.12 -179.851 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 40.6 m-20 -73.55 -38.42 65.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.886 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.636 HD23 ' HB2' ' A' ' 74' ' ' LEU . 1.8 mp -54.47 -31.84 56.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.946 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.689 HD13 HG13 ' A' ' 107' ' ' VAL . 3.7 mt -65.41 -46.46 90.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.176 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 52.4 mm-40 -73.92 -34.04 64.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.846 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 39.2 mm-40 -82.36 -10.23 59.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 51.4 mmtt 65.08 40.08 5.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 22.8 m-20 -111.52 36.86 3.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.849 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 25.2 mt -53.81 -23.3 11.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.937 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -50.24 -49.33 53.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.928 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.714 ' HA ' HD12 ' A' ' 76' ' ' LEU . 5.0 mtpt -78.87 -22.7 45.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.864 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.636 ' HB2' HD23 ' A' ' 65' ' ' LEU . 23.9 tp -57.41 -55.6 32.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.956 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.779 ' HA ' HD21 ' A' ' 116' ' ' LEU . 4.9 t0 -59.02 -26.68 64.77 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.881 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.714 HD12 ' HA ' ' A' ' 73' ' ' LYS . 45.4 mt -76.93 -49.19 16.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.939 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.613 HG12 ' CE ' ' A' ' 81' ' ' MET . 88.6 t -68.27 -38.3 79.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.157 179.813 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.798 HG21 HD22 ' A' ' 116' ' ' LEU . 29.5 mm -67.07 -53.37 34.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.118 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.464 ' HA ' ' HG2' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -64.3 -25.16 67.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.942 179.826 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.685 ' CE1' HD11 ' A' ' 84' ' ' LEU . 38.7 t80 -81.03 -43.48 19.51 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.908 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . 0.613 ' CE ' HG12 ' A' ' 77' ' ' VAL . 14.5 ptp -74.37 -32.5 62.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.95 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.464 ' HG2' ' HA ' ' A' ' 79' ' ' LYS . 0.0 OUTLIER -70.68 -32.34 69.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.87 179.923 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 2.4 ptm180 -71.14 -28.72 64.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.805 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.717 HD13 ' HA ' ' A' ' 41' ' ' LYS . 17.0 mt -82.6 -53.3 6.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.923 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 25.3 mtt -57.46 -29.22 64.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -78.25 -50.56 11.64 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.899 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -70.51 -10.61 59.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.916 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 5.1 m -55.08 176.98 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.886 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.475 HG13 ' CD ' ' A' ' 90' ' ' GLU . 2.7 p -99.64 -31.62 3.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.128 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.48 ' HB3' HG12 ' A' ' 92' ' ' VAL . 35.4 mp0 -83.47 132.35 34.96 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.909 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.2 m -71.51 -25.65 62.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.85 -179.781 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.48 HG12 ' HB3' ' A' ' 90' ' ' GLU . 9.5 p -61.11 -25.06 35.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.079 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 8.7 m95 -66.48 -34.14 77.25 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.002 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -58.13 -41.38 83.52 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.935 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 22.7 mtm -72.83 -34.07 66.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.855 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -53.49 -46.06 69.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.095 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.8 ' CZ ' HD11 ' A' ' 101' ' ' LEU . 25.4 t80 -61.29 -38.86 88.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.864 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -68.81 -34.1 74.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.888 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 38.2 t80 -58.89 -48.58 80.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.896 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.635 ' HA ' HG22 ' A' ' 59' ' ' VAL . 5.2 mt -63.77 -41.48 92.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.115 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.8 HD11 ' CZ ' ' A' ' 97' ' ' PHE . 22.6 mt -67.64 -33.05 74.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.972 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -60.96 -29.64 69.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.84 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 17.1 m-80 -98.31 -34.85 10.52 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.923 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.565 ' HA ' HG22 ' A' ' 63' ' ' THR . 81.2 t -76.2 -60.78 2.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.095 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.826 ' HA ' HD23 ' A' ' 108' ' ' LEU . 16.0 mm-40 -49.36 -29.24 5.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.896 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 3.0 t -69.29 -55.6 14.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.145 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.689 HG13 HD13 ' A' ' 66' ' ' ILE . 7.0 p -66.52 -25.14 34.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.07 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.884 HD21 ' HA ' ' A' ' 115' ' ' THR . 0.1 OUTLIER -74.39 -39.29 62.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.932 179.939 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . 0.406 ' N ' ' HG ' ' A' ' 108' ' ' LEU . 21.4 mt-30 -66.55 -40.85 89.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.958 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 44.3 mt-30 -64.41 -14.83 58.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 68.5 m -95.53 -59.66 1.83 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.22 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -104.47 -42.59 5.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.933 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 110.97 -14.39 28.9 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.468 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . 0.592 ' O ' HD11 ' A' ' 108' ' ' LEU . 23.1 m -94.32 -172.65 2.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.902 0.382 . . . . 0.0 110.9 -179.731 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . 0.884 ' HA ' HD21 ' A' ' 108' ' ' LEU . 69.9 p -152.58 -177.91 6.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.112 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.798 HD22 HG21 ' A' ' 78' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.966 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 208' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.938 0.399 . . . . 0.0 110.819 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 209' ' ' PHE . . . . . 0.665 ' CD1' HD11 ' A' ' 47' ' ' ILE . 83.7 t80 -55.99 -47.32 77.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.874 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 210' ' ' PHE . . . . . . . . . . . . . 38.2 m-85 -61.63 -28.42 69.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.858 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 211' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -72.83 -43.17 62.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.89 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 212' ' ' LYS . . . . . . . . . . . . . 8.1 ptpp? -77.48 -21.52 52.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.83 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 213' ' ' LYS . . . . . . . . . . . . . 5.2 tppt? -87.34 -49.71 7.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.876 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 214' ' ' ARG . . . . . 0.407 ' HB3' ' HB1' ' A' ' 28' ' ' ALA . 8.1 ptm180 . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 N--CA 1.466 -0.135 0 CA-C-O 120.812 0.255 . . . . 0.0 112.341 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.633 ' ND2' HG22 ' A' ' 31' ' ' VAL . 1.6 m120 -120.58 135.74 55.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.896 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.43 HD13 ' HB2' ' A' ' 61' ' ' TYR . 13.6 tp -103.52 117.36 34.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.928 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.796 ' HB3' HD13 ' A' ' 39' ' ' LEU . . . 53.84 35.81 22.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.102 179.803 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 82.14 12.9 80.18 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.517 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.46 ' HB1' ' HB3' ' A' ' 35' ' ' ASP . . . -108.44 113.61 26.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.801 0.334 . . . . 0.0 111.062 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.633 HG22 ' ND2' ' A' ' 26' ' ' ASN . 20.3 t -92.34 -40.44 12.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.199 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.469 ' O ' HG23 ' A' ' 36' ' ' VAL . 5.4 mm-40 -70.02 134.7 48.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.893 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 29.7 t80 -52.43 -53.07 50.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.882 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 74.9 p -50.31 -32.5 17.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.46 ' HB3' ' HB1' ' A' ' 30' ' ' ALA . 2.6 t0 -80.27 -35.39 36.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.833 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.469 HG23 ' O ' ' A' ' 32' ' ' GLU . 88.5 t -64.81 -57.36 11.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.111 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.711 ' HA ' HD12 ' A' ' 40' ' ' LEU . 7.5 pttt -53.28 -30.41 38.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.913 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 88.2 m -62.66 -39.6 94.44 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.134 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.796 HD13 ' HB3' ' A' ' 28' ' ' ALA . 12.7 mt -68.45 -38.77 81.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.907 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.711 HD12 ' HA ' ' A' ' 37' ' ' LYS . 8.6 mt -68.15 -46.47 70.7 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.923 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.679 ' HA ' HD13 ' A' ' 84' ' ' LEU . 15.5 ttpt -53.16 -45.14 68.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.893 179.855 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.794 ' O ' HG22 ' A' ' 46' ' ' THR . 15.4 pt-20 -77.31 -39.78 46.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.953 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.503 ' HD1' HD13 ' A' ' 47' ' ' ILE . 35.1 t90 -63.92 -14.13 51.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.893 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.459 HG22 ' O ' ' A' ' 44' ' ' ILE . 34.5 mt -104.14 -13.34 8.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.086 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.618 HG23 ' O ' ' A' ' 41' ' ' LYS . 80.5 p -103.04 -55.45 2.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.121 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.794 HG22 ' O ' ' A' ' 42' ' ' GLU . 12.7 t -69.79 -19.03 63.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.196 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.503 HD13 ' HD1' ' A' ' 43' ' ' TRP . 3.5 mt -127.11 125.93 67.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.149 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.2 p -107.19 -24.24 11.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.82 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -118.91 82.0 20.32 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.568 0.699 . . . . 0.0 110.853 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.86 154.24 67.55 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.634 2.223 . . . . 0.0 112.298 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 15.8 ttp -92.45 155.05 18.11 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.897 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -51.53 -39.68 58.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.912 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 29.5 mm-40 -68.69 -44.36 74.14 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.93 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -55.54 -51.24 67.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.879 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 56.5 mt -63.13 -30.93 50.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.09 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 5.2 mt -67.23 -37.22 83.22 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.908 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 43.2 mm-40 -54.04 -33.68 57.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 10.7 t -70.43 -34.6 58.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.153 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.486 HG22 ' HA ' ' A' ' 100' ' ' ILE . 93.1 t -63.76 -47.87 89.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.103 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -62.01 -30.33 70.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.866 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.463 ' OH ' HG21 ' A' ' 36' ' ' VAL . 67.3 t80 -72.28 -50.34 27.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.913 -179.828 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 46.4 m -67.56 -46.75 71.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.895 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.775 HG22 HG11 ' A' ' 107' ' ' VAL . 36.4 p -54.44 -28.36 43.66 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.119 -179.837 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 48.5 m-20 -73.71 -37.62 65.1 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.815 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.836 HD23 ' HB2' ' A' ' 74' ' ' LEU . 1.0 OUTLIER -54.15 -30.91 50.93 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 -179.96 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.615 HD13 HG13 ' A' ' 107' ' ' VAL . 5.3 mt -67.14 -49.41 73.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.117 179.845 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -73.21 -26.73 61.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.869 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -88.45 -10.88 47.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.4 mmmt 64.02 43.38 5.21 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.884 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 58.4 m-20 -115.12 35.61 4.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.826 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 22.3 mt -57.37 -18.2 16.35 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.874 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -49.96 -54.58 18.95 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.665 ' HA ' HD12 ' A' ' 76' ' ' LEU . 0.0 OUTLIER -78.79 -22.74 45.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.905 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.836 ' HB2' HD23 ' A' ' 65' ' ' LEU . 37.5 tp -54.09 -58.37 7.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.887 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -57.84 -26.84 62.59 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.838 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.665 HD12 ' HA ' ' A' ' 73' ' ' LYS . 61.4 mt -76.48 -42.8 42.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.482 HG13 ' CD1' ' A' ' 40' ' ' LEU . 93.7 t -70.74 -43.15 77.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.131 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.841 HG21 HD22 ' A' ' 116' ' ' LEU . 30.9 mm -56.4 -57.66 8.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.119 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.97 -36.28 82.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.955 179.828 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.575 ' CE1' HD11 ' A' ' 84' ' ' LEU . 56.2 t80 -62.59 -50.91 69.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.904 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . 0.476 ' HE1' HD13 ' A' ' 78' ' ' ILE . 8.9 ptp -67.69 -26.67 66.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.924 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.6 -58.58 6.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 3.6 ptm180 -52.12 -28.35 17.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.907 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.679 HD13 ' HA ' ' A' ' 41' ' ' LYS . 46.3 mt -81.55 -54.49 5.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 22.1 mtt -58.62 -30.08 66.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.879 179.792 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 21.0 mm-40 -78.94 -53.92 6.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.949 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -66.02 -15.51 63.09 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.93 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -53.46 172.68 0.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 -179.758 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 3.2 p -96.36 -32.82 4.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.191 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.767 ' HB3' HG12 ' A' ' 92' ' ' VAL . 16.3 mm-40 -85.89 112.84 21.53 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.85 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.1 t -57.51 -25.33 59.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.795 -179.767 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.767 HG12 ' HB3' ' A' ' 90' ' ' GLU . 9.3 p -54.24 -27.07 16.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.155 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 13.1 m95 -64.37 -37.74 88.57 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.932 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 6.3 m-80 -55.74 -39.2 70.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.881 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 21.9 mtm -72.48 -38.85 68.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -53.33 -43.47 67.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.013 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.653 ' CZ ' HD11 ' A' ' 101' ' ' LEU . 38.1 t80 -56.63 -49.56 74.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.945 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -63.19 -36.21 82.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.849 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 24.1 t80 -59.95 -46.13 90.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.865 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.486 ' HA ' HG22 ' A' ' 59' ' ' VAL . 19.0 mt -67.45 -38.37 80.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.143 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.653 HD11 ' CZ ' ' A' ' 97' ' ' PHE . 21.8 mt -69.87 -34.31 73.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.961 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -59.86 -26.79 66.13 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 179.8 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 39.1 m-80 -97.68 -40.6 8.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.88 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.42 HG23 ' O ' ' A' ' 100' ' ' ILE . 77.8 t -71.61 -58.88 4.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.115 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.817 ' HA ' HD23 ' A' ' 108' ' ' LEU . 13.8 mm-40 -49.0 -29.39 4.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.944 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 6.1 t -71.23 -56.45 10.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.171 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.775 HG11 HG22 ' A' ' 63' ' ' THR . 5.8 p -64.79 -25.78 38.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.167 179.818 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.856 HD21 ' HA ' ' A' ' 115' ' ' THR . 0.1 OUTLIER -74.41 -38.61 63.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.929 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -67.27 -40.89 86.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.93 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 51.2 mt-30 -63.92 -14.97 57.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.929 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 57.1 m -95.93 -60.92 1.54 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.072 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' TYR . . . . . 0.431 ' CE2' HG23 ' A' ' 66' ' ' ILE . 10.2 m-85 -101.89 -42.74 6.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.917 -179.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 111.59 -14.53 27.3 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.56 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . 0.571 ' O ' HD11 ' A' ' 108' ' ' LEU . 1.1 t -94.0 -176.09 3.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.938 0.399 . . . . 0.0 110.867 -179.752 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . 0.856 ' HA ' HD21 ' A' ' 108' ' ' LEU . 71.8 p -152.34 -177.85 6.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.169 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.841 HD22 HG21 ' A' ' 78' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 208' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.933 0.397 . . . . 0.0 110.853 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 209' ' ' PHE . . . . . 0.408 ' CD1' HD11 ' A' ' 47' ' ' ILE . 41.0 t80 -51.95 -45.48 64.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.856 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 210' ' ' PHE . . . . . . . . . . . . . 64.7 m-85 -59.75 -27.36 66.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.847 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 211' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -73.18 -44.37 59.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.899 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 212' ' ' LYS . . . . . . . . . . . . . 5.4 pttt -78.0 -18.24 56.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.866 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 213' ' ' LYS . . . . . 0.688 ' CE ' HD22 ' A' ' 39' ' ' LEU . 0.0 OUTLIER -90.64 -41.49 11.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.858 179.911 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 214' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.855 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--O 1.23 0.081 0 CA-C-O 120.802 0.251 . . . . 0.0 112.339 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.409 ' ND2' HG22 ' A' ' 31' ' ' VAL . 1.6 m120 -124.77 142.16 51.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.9 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.422 HD21 HD21 ' A' ' 40' ' ' LEU . 1.6 tp -102.18 113.39 26.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.915 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 55.87 26.73 10.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.148 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 95.03 13.04 54.37 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.54 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.544 ' HB2' HD11 ' A' ' 39' ' ' LEU . . . -104.92 118.58 36.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.823 0.344 . . . . 0.0 111.12 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.409 HG22 ' ND2' ' A' ' 26' ' ' ASN . 21.7 t -94.17 -44.27 13.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.077 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.655 ' O ' HG23 ' A' ' 36' ' ' VAL . 16.4 mm-40 -66.47 139.88 57.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.893 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 44.4 t80 -57.72 -50.35 73.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.913 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -51.84 -37.53 52.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.792 -179.822 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -74.24 -29.43 61.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.911 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.655 HG23 ' O ' ' A' ' 32' ' ' GLU . 94.3 t -71.68 -56.84 8.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.108 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.516 ' HA ' HD12 ' A' ' 40' ' ' LEU . 6.2 pttt -56.95 -31.49 65.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 54.8 m -67.09 -40.29 86.94 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.175 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.544 HD11 ' HB2' ' A' ' 30' ' ' ALA . 14.5 mt -69.38 -34.62 74.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.516 HD12 ' HA ' ' A' ' 37' ' ' LYS . 15.0 mt -72.19 -47.31 51.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.986 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.722 ' HA ' HD13 ' A' ' 84' ' ' LEU . 13.1 ttpt -52.66 -42.4 64.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 179.798 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.768 ' O ' HG22 ' A' ' 46' ' ' THR . 12.4 pt-20 -77.5 -41.94 37.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.879 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.481 ' HD1' HD13 ' A' ' 47' ' ' ILE . 39.1 t90 -63.37 -15.6 57.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.876 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.454 HG22 ' O ' ' A' ' 44' ' ' ILE . 37.6 mt -101.47 -13.24 8.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.155 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.585 HG23 ' O ' ' A' ' 41' ' ' LYS . 74.0 p -104.06 -55.76 2.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.144 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.768 HG22 ' O ' ' A' ' 42' ' ' GLU . 13.4 t -66.01 -16.94 64.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.092 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.542 HD11 ' CD1' ' B' ' 209' ' ' PHE . 3.3 mt -127.97 127.55 68.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.135 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 37.5 m -106.95 -24.46 12.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.836 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -116.03 81.15 9.78 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.562 0.696 . . . . 0.0 110.864 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 147.27 62.7 Favored 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.747 2.298 . . . . 0.0 112.328 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 10.2 ttp -91.93 155.12 18.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.86 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -52.47 -39.7 61.44 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.898 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -66.36 -45.0 81.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.894 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -57.28 -49.1 77.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.888 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 50.1 mt -66.2 -30.79 51.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.078 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' A' ' 56' ' ' LEU . 8.9 mt -63.51 -40.73 97.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.851 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 7.5 mm-40 -54.3 -32.64 56.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.917 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 15.3 t -70.85 -34.88 57.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.076 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.619 HG22 ' HA ' ' A' ' 100' ' ' ILE . 95.4 t -65.39 -51.59 62.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.141 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 16.7 mmt180 -60.89 -25.25 66.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.819 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 67.5 t80 -75.62 -51.86 11.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 -179.769 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 62.2 m -68.62 -45.71 71.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.913 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.56 HG22 ' HA ' ' A' ' 104' ' ' VAL . 52.9 p -56.28 -25.55 48.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.177 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 46.6 m-20 -73.53 -37.64 65.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.862 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.605 HD23 ' HB2' ' A' ' 74' ' ' LEU . 1.6 mp -54.63 -32.98 59.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.892 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.643 HD13 HG13 ' A' ' 107' ' ' VAL . 3.0 mt -64.58 -43.66 96.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.108 179.874 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -74.23 -35.5 63.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.901 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 59.1 mm-40 -83.03 -8.77 59.51 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.926 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 27.0 mmtt 64.91 39.71 5.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.887 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -111.02 36.86 3.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.923 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 24.7 mt -53.82 -23.22 11.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.919 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -50.36 -48.84 55.55 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.871 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.737 ' HA ' HD12 ' A' ' 76' ' ' LEU . 1.9 mtpp -78.75 -22.59 46.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.907 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.605 ' HB2' HD23 ' A' ' 65' ' ' LEU . 24.3 tp -57.86 -57.46 12.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.864 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.549 ' HA ' HD21 ' A' ' 116' ' ' LEU . 2.9 t0 -57.33 -26.88 61.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.831 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.737 HD12 ' HA ' ' A' ' 73' ' ' LYS . 42.8 mt -76.96 -49.57 15.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.886 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.596 HG12 ' CE ' ' A' ' 81' ' ' MET . 91.3 t -67.73 -36.13 74.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.111 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.81 HG21 HD22 ' A' ' 116' ' ' LEU . 30.2 mm -69.15 -53.89 23.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.17 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.462 ' HA ' ' HG2' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -63.83 -25.37 68.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.873 179.809 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.686 ' CE1' HD11 ' A' ' 84' ' ' LEU . 37.2 t80 -80.93 -43.38 19.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.875 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . 0.596 ' CE ' HG12 ' A' ' 77' ' ' VAL . 14.1 ptp -74.35 -32.35 62.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.866 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.462 ' HG2' ' HA ' ' A' ' 79' ' ' LYS . 0.0 OUTLIER -71.13 -31.93 68.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.91 179.955 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 2.4 ptm180 -71.11 -29.03 64.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.868 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.722 HD13 ' HA ' ' A' ' 41' ' ' LYS . 15.4 mt -82.44 -54.92 4.82 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.925 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 29.4 mtt -55.65 -29.93 60.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.861 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 58.5 mt-30 -77.26 -55.18 5.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.948 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -64.73 -15.49 61.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.917 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 24.6 p -51.91 161.69 0.54 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.851 -179.751 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 2.3 m -83.71 -25.97 7.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.146 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.41 ' HB3' HG22 ' A' ' 92' ' ' VAL . 3.6 mm-40 -94.21 125.31 38.77 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.93 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 36.5 p -67.94 -24.42 65.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.855 -179.762 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.41 HG22 ' HB3' ' A' ' 90' ' ' GLU . 34.2 m -57.47 -22.85 18.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.097 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 7.6 m95 -72.43 -34.4 67.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -57.77 -38.03 74.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.931 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 18.5 mtm -72.63 -38.75 67.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.898 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -53.18 -38.71 63.07 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.109 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.774 ' CZ ' HD11 ' A' ' 101' ' ' LEU . 25.9 t80 -64.56 -45.84 85.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.946 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 24.3 t0 -61.96 -36.53 81.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.942 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 33.1 t80 -56.38 -49.04 75.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.881 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.619 ' HA ' HG22 ' A' ' 59' ' ' VAL . 6.0 mt -62.7 -42.87 97.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.128 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.774 HD11 ' CZ ' ' A' ' 97' ' ' PHE . 35.5 mt -66.53 -31.49 72.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.977 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -60.92 -31.34 70.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.943 179.785 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 8.2 m-80 -98.09 -32.67 11.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.858 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.56 ' HA ' HG22 ' A' ' 63' ' ' THR . 83.8 t -77.11 -61.54 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.171 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.819 ' HA ' HD23 ' A' ' 108' ' ' LEU . 17.6 mm-40 -49.52 -29.94 7.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.886 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 3.8 t -71.22 -52.93 23.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.138 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.643 HG13 HD13 ' A' ' 66' ' ' ILE . 9.4 p -68.38 -26.02 32.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.091 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.869 HD21 ' HA ' ' A' ' 115' ' ' THR . 0.1 OUTLIER -73.65 -38.47 64.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . 0.406 ' N ' ' HG ' ' A' ' 108' ' ' LEU . 27.2 mt-30 -66.32 -41.1 90.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.944 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -64.31 -14.87 58.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.949 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 68.8 m -95.61 -59.52 1.85 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.183 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' TYR . . . . . 0.421 ' CE1' HG23 ' A' ' 66' ' ' ILE . 11.7 m-85 -104.08 -42.86 5.42 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.909 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 111.5 -14.52 27.55 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.521 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . 0.589 ' O ' HD11 ' A' ' 108' ' ' LEU . 74.8 p -94.37 -174.22 3.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.911 0.386 . . . . 0.0 110.84 -179.664 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . 0.869 ' HA ' HD21 ' A' ' 108' ' ' LEU . 66.5 p -152.7 -178.0 6.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.075 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.81 HD22 HG21 ' A' ' 78' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.951 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 208' ' ' SER . . . . . . . . . . . . . 1.1 t . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.942 0.401 . . . . 0.0 110.85 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 209' ' ' PHE . . . . . 0.542 ' CD1' HD11 ' A' ' 47' ' ' ILE . 76.0 t80 -53.0 -37.7 61.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.85 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 210' ' ' PHE . . . . . . . . . . . . . 31.8 m-85 -67.54 -29.19 68.52 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.827 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 211' ' ' ASP . . . . . . . . . . . . . 29.7 m-20 -75.73 -43.5 46.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.879 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 212' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -77.47 -20.01 55.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.847 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 213' ' ' LYS . . . . . . . . . . . . . 11.5 tptt -86.38 -46.41 10.28 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.869 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 214' ' ' ARG . . . . . . . . . . . . . 26.1 ptt85 . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 -179.987 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--O 1.23 0.125 0 CA-C-O 120.755 0.231 . . . . 0.0 112.363 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.591 ' ND2' HG22 ' A' ' 31' ' ' VAL . 1.7 m120 -124.51 135.08 52.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.875 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.455 HD21 HD21 ' A' ' 40' ' ' LEU . 19.0 tp -105.39 108.9 20.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.93 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 58.82 28.7 17.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.12 179.79 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 95.13 4.66 61.17 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.472 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.49 ' HB2' HD11 ' A' ' 39' ' ' LEU . . . -100.68 115.91 31.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.794 0.33 . . . . 0.0 111.123 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.591 HG22 ' ND2' ' A' ' 26' ' ' ASN . 21.8 t -93.39 -38.04 9.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.14 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.621 ' O ' HG23 ' A' ' 36' ' ' VAL . 67.7 mt-10 -71.76 141.35 49.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.892 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 35.3 t80 -56.12 -51.45 67.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.897 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 10.9 p -51.61 -37.4 49.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.843 -179.783 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 81.5 m-20 -74.01 -29.58 62.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.797 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.621 HG23 ' O ' ' A' ' 32' ' ' GLU . 97.8 t -72.15 -56.24 10.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.165 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.771 ' HA ' HD12 ' A' ' 40' ' ' LEU . 2.7 ptmt -57.16 -34.16 68.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.879 179.859 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 53.1 m -65.53 -37.7 87.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.169 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.49 HD11 ' HB2' ' A' ' 30' ' ' ALA . 30.8 mt -70.52 -35.66 73.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.924 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.771 HD12 ' HA ' ' A' ' 37' ' ' LYS . 5.4 mt -71.91 -46.96 55.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.656 ' HA ' HD13 ' A' ' 84' ' ' LEU . 6.3 ttpt -52.94 -42.8 65.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.952 179.85 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.787 ' O ' HG22 ' A' ' 46' ' ' THR . 25.2 pt-20 -76.86 -42.31 40.53 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.942 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.503 ' HD1' HD13 ' A' ' 47' ' ' ILE . 34.9 t90 -63.53 -14.85 55.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.919 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.435 HG22 ' O ' ' A' ' 44' ' ' ILE . 41.1 mt -102.24 -14.64 8.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.118 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.585 HG23 ' O ' ' A' ' 41' ' ' LYS . 76.5 p -102.48 -56.24 2.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.132 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.787 HG22 ' O ' ' A' ' 42' ' ' GLU . 12.8 t -65.6 -16.48 63.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.179 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.503 HD13 ' HD1' ' A' ' 43' ' ' TRP . 3.4 mt -128.18 130.31 69.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.102 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 9.0 m -106.61 -24.5 12.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.836 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -115.53 80.43 8.03 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.578 0.704 . . . . 0.0 110.899 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 139.93 41.45 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.678 2.252 . . . . 0.0 112.287 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 65.6 mtm -85.55 159.8 19.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.856 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -57.39 -59.92 4.42 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.902 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -51.84 -46.24 64.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.885 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -55.07 -38.81 68.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.855 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.596 ' O ' HG22 ' A' ' 58' ' ' VAL . 20.1 mt -72.79 -49.93 36.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.147 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.409 HD13 ' HA ' ' A' ' 56' ' ' LEU . 4.3 mm? -49.79 -28.29 6.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.94 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 22.1 mt-30 -55.91 -36.92 68.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.866 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.596 HG22 ' O ' ' A' ' 55' ' ' ILE . 2.1 m -73.27 -31.0 32.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.114 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.622 HG22 HG23 ' A' ' 100' ' ' ILE . 87.2 t -59.1 -52.1 64.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.172 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 23.2 mmm180 -58.34 -29.15 65.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.901 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.573 ' CE2' HG11 ' A' ' 36' ' ' VAL . 56.5 t80 -71.55 -54.82 9.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 -179.874 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 44.1 m -65.0 -47.3 78.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.882 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.605 HG22 ' HA ' ' A' ' 104' ' ' VAL . 49.4 p -57.23 -26.41 60.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.157 -179.874 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -73.34 -37.82 65.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.832 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.402 HD23 ' HB2' ' A' ' 74' ' ' LEU . 1.8 mp -54.34 -34.59 61.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.964 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.636 HD13 HG13 ' A' ' 107' ' ' VAL . 3.1 mt -62.53 -44.34 99.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.154 179.864 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 38.4 mm-40 -73.99 -35.11 64.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.93 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 60.3 mm-40 -82.87 -7.34 59.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.868 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 4.0 mmmm 63.95 38.5 8.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.909 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -111.29 37.19 2.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.873 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.541 HD11 ' CZ ' ' A' ' 112' ' ' TYR . 22.1 mt -53.96 -23.39 12.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.933 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -50.34 -46.18 55.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.936 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.771 ' HA ' HD12 ' A' ' 76' ' ' LEU . 14.0 mtpt -79.0 -22.86 44.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.921 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.402 ' HB2' HD23 ' A' ' 65' ' ' LEU . 23.4 tp -57.36 -61.91 2.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.411 ' HA ' HD21 ' A' ' 116' ' ' LEU . 0.7 OUTLIER -54.21 -26.76 30.19 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.874 179.794 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.771 HD12 ' HA ' ' A' ' 73' ' ' LYS . 53.7 mt -76.66 -45.95 27.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.983 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.475 HG23 ' O ' ' A' ' 73' ' ' LYS . 86.5 t -69.8 -38.98 77.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.071 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.711 HG21 HD22 ' A' ' 116' ' ' LEU . 34.8 mm -63.92 -57.47 11.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.187 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.68 -32.26 71.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.882 179.805 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.661 ' CE1' HD11 ' A' ' 84' ' ' LEU . 57.5 t80 -68.43 -53.46 23.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.949 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . 0.602 ' HA ' HD12 ' A' ' 84' ' ' LEU . 11.4 ptp -65.77 -27.38 68.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 179.847 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.76 -57.61 11.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.88 -27.18 28.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.856 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.661 HD11 ' CE1' ' A' ' 80' ' ' TYR . 26.7 mt -80.99 -54.72 5.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.982 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 27.7 mtt -60.83 -29.13 69.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.842 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 21.3 mm-40 -78.22 -50.67 11.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.871 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -67.47 -15.12 63.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.904 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 37.3 p -51.94 152.65 2.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.826 -179.755 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 2.6 m -76.71 -26.02 16.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.123 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 32.3 mm-40 -98.94 131.68 44.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 2.2 t -71.77 -18.92 62.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.875 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 13.7 p -56.4 -24.4 18.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.133 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 46.8 m95 -71.94 -34.28 68.91 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.901 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -59.62 -37.09 77.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.858 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 15.1 mtm -72.33 -39.84 67.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.861 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -53.84 -44.29 70.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.076 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.648 ' CZ ' HD11 ' A' ' 101' ' ' LEU . 45.2 t80 -55.25 -55.06 35.69 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 19.5 t0 -57.3 -41.33 79.64 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.856 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 52.3 t80 -54.61 -47.97 72.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.895 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.622 HG23 HG22 ' A' ' 59' ' ' VAL . 11.2 mt -62.81 -46.13 97.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.158 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.648 HD11 ' CZ ' ' A' ' 97' ' ' PHE . 34.8 mt -62.22 -27.57 69.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.879 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.28 -30.39 71.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.851 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -97.41 -33.03 11.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.852 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.605 ' HA ' HG22 ' A' ' 63' ' ' THR . 79.1 t -77.03 -60.55 2.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.154 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.833 ' HA ' HD23 ' A' ' 108' ' ' LEU . 17.0 mm-40 -49.55 -29.9 7.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.907 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 4.6 t -71.01 -54.43 17.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.182 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.636 HG13 HD13 ' A' ' 66' ' ' ILE . 7.4 p -66.91 -25.91 35.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.173 179.875 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.845 HD21 ' HA ' ' A' ' 115' ' ' THR . 0.1 OUTLIER -73.9 -39.07 64.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.968 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . 0.406 ' N ' ' HG ' ' A' ' 108' ' ' LEU . 16.5 mt-30 -66.09 -41.31 90.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.909 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -63.9 -15.11 58.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.93 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 59.8 m -95.53 -60.67 1.61 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.165 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' TYR . . . . . 0.541 ' CZ ' HD11 ' A' ' 71' ' ' LEU . 8.8 m-85 -102.35 -42.86 5.86 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 111.59 -14.61 27.29 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.528 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . 0.589 ' O ' HD11 ' A' ' 108' ' ' LEU . 49.3 m -94.79 -173.73 3.08 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.883 0.373 . . . . 0.0 110.879 -179.704 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . 0.845 ' HA ' HD21 ' A' ' 108' ' ' LEU . 67.3 p -152.6 176.55 11.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.127 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.711 HD22 HG21 ' A' ' 78' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.901 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 208' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.911 0.386 . . . . 0.0 110.787 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 209' ' ' PHE . . . . . 0.436 ' CD1' HD11 ' A' ' 47' ' ' ILE . 74.8 t80 -54.99 -45.04 75.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.873 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 210' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -63.24 -28.61 70.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.857 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 211' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -71.64 -46.95 57.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.851 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 212' ' ' LYS . . . . . . . . . . . . . 10.4 ptmm? -71.58 -23.77 61.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.929 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 213' ' ' LYS . . . . . . . . . . . . . 4.9 tppt? -82.47 -45.21 15.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.918 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 214' ' ' ARG . . . . . . . . . . . . . 4.7 ptm180 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.826 179.975 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 N--CA 1.465 -0.151 0 CA-C-O 120.766 0.236 . . . . 0.0 112.378 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.46 ' ND2' HG22 ' A' ' 31' ' ' VAL . 1.8 m120 -125.17 143.44 50.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.893 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.544 HD21 HD21 ' A' ' 40' ' ' LEU . 12.7 tp -104.33 111.95 24.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.925 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 54.76 28.52 10.34 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.061 179.754 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 95.12 12.99 54.22 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.758 -0.735 . . . . 0.0 112.563 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.59 ' HB2' HD11 ' A' ' 39' ' ' LEU . . . -105.86 115.76 30.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.843 0.354 . . . . 0.0 111.05 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.46 HG22 ' ND2' ' A' ' 26' ' ' ASN . 30.2 t -91.88 -45.71 14.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.145 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.736 ' O ' HG23 ' A' ' 36' ' ' VAL . 5.4 mm-40 -68.44 146.03 53.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.936 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 37.3 t80 -59.5 -50.56 73.45 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.86 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 4.9 m -51.69 -37.81 52.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.836 -179.77 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 30.4 m-20 -72.64 -29.71 63.68 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.877 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.736 HG23 ' O ' ' A' ' 32' ' ' GLU . 46.7 t -71.97 -57.1 8.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.16 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.573 ' HA ' HD12 ' A' ' 40' ' ' LEU . 4.0 ptmt -56.16 -33.69 65.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.939 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 54.1 m -63.84 -40.94 97.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.152 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.59 HD11 ' HB2' ' A' ' 30' ' ' ALA . 14.3 mt -70.45 -34.0 71.95 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.956 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.573 HD12 ' HA ' ' A' ' 37' ' ' LYS . 15.4 mt -72.18 -46.84 54.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.896 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.715 ' HA ' HD13 ' A' ' 84' ' ' LEU . 8.6 ttpt -52.68 -42.69 64.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.971 179.751 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.779 ' O ' HG22 ' A' ' 46' ' ' THR . 12.3 pt-20 -77.39 -41.63 39.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.884 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.494 ' HD1' HD13 ' A' ' 47' ' ' ILE . 36.9 t90 -63.45 -15.37 57.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.934 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.445 HG22 ' O ' ' A' ' 44' ' ' ILE . 35.9 mt -101.87 -13.97 8.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.183 179.847 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.591 HG23 ' O ' ' A' ' 41' ' ' LYS . 70.3 p -103.15 -56.1 2.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.185 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.779 HG22 ' O ' ' A' ' 42' ' ' GLU . 13.2 t -65.1 -16.17 63.19 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.122 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.602 HD11 ' CD1' ' B' ' 209' ' ' PHE . 3.2 mt -127.42 130.69 70.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.093 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -107.2 -29.86 9.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.866 -179.881 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -112.69 81.36 4.26 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.617 0.722 . . . . 0.0 110.889 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 134.88 28.99 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.74 2.293 . . . . 0.0 112.335 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 20.0 mtp -82.07 150.64 27.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.844 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -52.35 -34.7 48.67 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -66.59 -50.06 64.3 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.874 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -58.01 -46.62 84.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.88 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 57.5 mt -63.87 -31.98 55.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.08 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.0 mt -63.08 -38.56 91.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.907 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 5.3 mm100 -54.02 -31.61 51.72 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.949 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 12.9 t -71.88 -35.26 54.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.121 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.55 HG22 ' HA ' ' A' ' 100' ' ' ILE . 88.2 t -65.58 -52.55 49.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.165 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 21.2 mmt85 -59.08 -25.63 63.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.904 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.466 ' OH ' HG21 ' A' ' 36' ' ' VAL . 75.0 t80 -75.45 -52.15 11.37 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.909 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 63.6 m -67.06 -45.99 75.69 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.824 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.738 HG22 HG11 ' A' ' 107' ' ' VAL . 35.3 p -53.3 -28.25 27.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.158 -179.827 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 35.4 m-20 -73.85 -38.24 64.54 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.884 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.804 HD23 ' HB2' ' A' ' 74' ' ' LEU . 1.0 OUTLIER -54.21 -31.82 54.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 -179.933 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.609 HD13 HG13 ' A' ' 107' ' ' VAL . 5.8 mt -66.32 -47.85 82.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.128 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -73.2 -29.27 62.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.893 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 37.7 mm-40 -86.88 -10.47 53.31 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.856 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 5.8 mmtm 64.31 42.7 5.15 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.852 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -114.57 36.41 3.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.919 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.475 HD11 ' CE2' ' A' ' 112' ' ' TYR . 22.5 mt -57.15 -18.41 15.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.925 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 47.1 tt0 -49.9 -54.32 20.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.915 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.792 ' HE2' HD11 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -78.83 -22.14 46.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.907 179.915 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.804 ' HB2' HD23 ' A' ' 65' ' ' LEU . 35.0 tp -55.19 -59.02 5.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.882 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.781 ' HA ' HD21 ' A' ' 116' ' ' LEU . 0.5 OUTLIER -55.44 -28.3 53.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.885 179.829 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.624 HD12 ' HA ' ' A' ' 73' ' ' LYS . 40.5 mt -76.4 -44.77 34.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.904 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.574 HG12 ' HE2' ' A' ' 81' ' ' MET . 86.9 t -70.19 -33.93 56.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.064 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.688 HG21 HD22 ' A' ' 116' ' ' LEU . 31.2 mm -69.82 -54.54 18.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.113 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.466 ' HA ' ' HG2' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -63.89 -25.0 67.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.86 179.866 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.659 ' CE1' HD11 ' A' ' 84' ' ' LEU . 37.3 t80 -80.72 -43.52 20.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.911 -179.877 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . 0.574 ' HE2' HG12 ' A' ' 77' ' ' VAL . 13.4 ptp -74.67 -31.74 62.02 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.869 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.466 ' HG2' ' HA ' ' A' ' 79' ' ' LYS . 0.0 OUTLIER -71.47 -32.06 67.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.903 179.935 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 2.4 ptm180 -71.19 -29.73 65.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.822 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.715 HD13 ' HA ' ' A' ' 41' ' ' LYS . 18.5 mt -82.31 -51.59 7.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 34.9 mtt -59.1 -27.29 65.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.856 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 51.7 mt-30 -78.5 -48.31 15.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.943 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -73.53 -13.54 61.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.966 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 6.9 m -51.9 152.65 2.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.838 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.571 HG13 ' CD ' ' A' ' 90' ' ' GLU . 3.3 p -71.16 -32.78 48.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.104 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.571 ' CD ' HG13 ' A' ' 89' ' ' VAL . 45.1 mp0 -86.14 130.99 34.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.918 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 32.4 t -71.64 -27.7 63.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.874 -179.79 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.505 HG22 ' HB3' ' A' ' 90' ' ' GLU . 25.5 m -56.52 -29.48 29.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.124 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 11.6 m95 -59.88 -33.8 72.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.938 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 12.8 m-80 -58.56 -39.17 79.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.922 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 28.8 mtm -72.5 -36.89 68.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.875 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -53.09 -43.93 67.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.082 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.783 ' CZ ' HD11 ' A' ' 101' ' ' LEU . 23.0 t80 -60.34 -42.3 95.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.865 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -67.59 -34.6 77.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.888 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 31.7 t80 -58.27 -42.75 87.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.809 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.55 ' HA ' HG22 ' A' ' 59' ' ' VAL . 6.2 mt -70.83 -39.75 75.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.15 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.783 HD11 ' CZ ' ' A' ' 97' ' ' PHE . 22.9 mt -67.37 -35.69 79.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.841 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -60.03 -27.35 66.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.848 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 7.1 m-80 -98.33 -38.63 9.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' ' 100' ' ' ILE . 84.3 t -73.8 -59.51 3.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.134 179.878 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.826 ' HA ' HD23 ' A' ' 108' ' ' LEU . 13.6 mm-40 -48.92 -29.07 4.31 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.925 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 4.1 t -70.38 -56.99 9.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.179 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.738 HG11 HG22 ' A' ' 63' ' ' THR . 5.0 p -64.64 -25.58 38.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.125 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.882 HD21 ' HA ' ' A' ' 115' ' ' THR . 0.1 OUTLIER -74.05 -39.17 63.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.876 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . 0.406 ' N ' ' HG ' ' A' ' 108' ' ' LEU . 21.6 mt-30 -66.03 -41.32 91.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.955 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 43.9 mt-30 -63.66 -15.4 58.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.931 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 64.6 m -95.73 -59.76 1.79 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.19 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' TYR . . . . . 0.475 ' CE2' HD11 ' A' ' 71' ' ' LEU . 9.4 m-85 -103.34 -43.14 5.51 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.884 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 110.69 -14.42 29.62 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.522 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . 0.583 ' O ' HD11 ' A' ' 108' ' ' LEU . 89.7 p -95.31 -172.85 2.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.952 0.406 . . . . 0.0 110.901 -179.81 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . 0.882 ' HA ' HD21 ' A' ' 108' ' ' LEU . 72.4 p -152.29 -178.1 6.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.182 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.781 HD21 ' HA ' ' A' ' 75' ' ' ASP . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.941 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 208' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.877 0.37 . . . . 0.0 110.916 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 209' ' ' PHE . . . . . 0.602 ' CD1' HD11 ' A' ' 47' ' ' ILE . 74.8 t80 -76.06 -38.8 56.66 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 210' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 -66.28 -25.89 67.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.931 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 211' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -72.56 -44.94 61.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.859 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 212' ' ' LYS . . . . . . . . . . . . . 8.0 ptpp? -71.55 -25.0 62.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 213' ' ' LYS . . . . . 0.454 ' HG2' HD22 ' A' ' 39' ' ' LEU . 15.2 tppt? -79.74 -50.37 10.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.924 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 214' ' ' ARG . . . . . . . . . . . . . 21.8 ptt180 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.89 179.955 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo . . . . . 0 C--O 1.231 0.142 0 CA-C-O 120.728 0.22 . . . . 0.0 112.341 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -125.94 144.24 50.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.869 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.491 HD21 HD21 ' A' ' 40' ' ' LEU . 15.4 tp -106.23 114.53 28.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.925 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 56.68 27.4 12.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.088 179.8 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 92.91 13.03 57.16 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.509 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.415 ' HB2' HD11 ' A' ' 39' ' ' LEU . . . -104.93 119.71 39.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.826 0.346 . . . . 0.0 111.058 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 28.1 t -93.57 -41.75 12.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.092 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.668 ' O ' HG23 ' A' ' 36' ' ' VAL . 55.7 mm-40 -69.58 145.64 52.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.879 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 42.8 t80 -61.15 -50.67 72.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.866 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.7 m -51.79 -37.51 51.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.831 -179.741 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -72.59 -29.45 63.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.668 HG23 ' O ' ' A' ' 32' ' ' GLU . 96.7 t -72.54 -57.2 7.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.087 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.558 ' HA ' HD12 ' A' ' 40' ' ' LEU . 3.9 ptmt -56.12 -35.34 66.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.882 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 55.4 m -62.94 -38.99 93.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.091 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.415 HD11 ' HB2' ' A' ' 30' ' ' ALA . 7.7 mt -70.45 -35.95 73.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.937 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.558 HD12 ' HA ' ' A' ' 37' ' ' LYS . 11.9 mt -71.99 -45.99 58.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.935 179.861 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.702 ' HA ' HD13 ' A' ' 84' ' ' LEU . 0.5 OUTLIER -52.65 -42.89 65.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.923 179.817 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.781 ' O ' HG22 ' A' ' 46' ' ' THR . 13.4 pt-20 -77.26 -41.96 38.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.904 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.501 ' HD1' HD13 ' A' ' 47' ' ' ILE . 35.3 t90 -63.06 -15.72 57.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.949 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.44 HG22 ' O ' ' A' ' 44' ' ' ILE . 39.2 mt -101.48 -14.21 8.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.091 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.585 HG23 ' O ' ' A' ' 41' ' ' LYS . 70.3 p -102.98 -55.91 2.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.176 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.781 HG22 ' O ' ' A' ' 42' ' ' GLU . 13.2 t -64.78 -16.91 63.68 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.13 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.597 HD11 ' CD1' ' B' ' 209' ' ' PHE . 3.2 mt -126.65 132.43 70.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.181 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 11.2 p -107.48 -32.92 7.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -110.86 81.59 2.65 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.614 0.721 . . . . 0.0 110.877 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.73 143.84 52.26 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.647 2.231 . . . . 0.0 112.339 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 63.8 mtm -92.01 156.19 17.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.87 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -52.09 -38.26 56.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.871 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 31.9 mm-40 -66.91 -45.8 76.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.869 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -57.53 -46.17 84.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.642 HG23 HD11 ' A' ' 100' ' ' ILE . 28.3 mt -72.39 -40.53 64.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.122 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.5 mt -54.78 -39.09 68.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 4.2 mm100 -54.05 -30.59 48.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.989 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 10.7 t -73.21 -35.04 46.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.151 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.537 HG22 ' HA ' ' A' ' 100' ' ' ILE . 92.4 t -62.04 -51.17 75.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.155 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 14.0 mmm180 -59.02 -26.79 64.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.861 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 61.5 t80 -75.5 -53.58 8.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.922 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . 0.428 ' HB2' HG21 ' A' ' 104' ' ' VAL . 55.5 m -65.22 -43.61 90.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.882 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.7 HG22 HG11 ' A' ' 107' ' ' VAL . 37.0 p -57.26 -28.32 62.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.137 -179.849 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 54.5 m-20 -74.14 -36.6 64.16 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.816 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.708 HD23 ' HB2' ' A' ' 74' ' ' LEU . 1.4 mp -54.0 -33.29 56.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.911 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.613 HD13 HG13 ' A' ' 107' ' ' VAL . 5.8 mt -64.68 -45.84 94.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.143 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 49.7 mm-40 -73.81 -34.29 64.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.89 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -82.63 -9.28 59.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.9 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 55.4 mmtt 64.02 41.5 6.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.909 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -112.95 35.52 3.88 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.875 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.443 HD11 ' CE1' ' A' ' 112' ' ' TYR . 37.8 mt -54.21 -23.05 13.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.91 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -50.26 -49.1 54.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.758 ' HA ' HD12 ' A' ' 76' ' ' LEU . 3.4 mtpt -78.73 -22.44 46.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.708 ' HB2' HD23 ' A' ' 65' ' ' LEU . 26.9 tp -58.71 -56.45 22.07 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.93 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.571 ' HA ' HD11 ' A' ' 116' ' ' LEU . 12.9 t0 -58.17 -28.38 64.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.798 179.869 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.758 HD12 ' HA ' ' A' ' 73' ' ' LYS . 26.8 mt -76.83 -43.74 35.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.948 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.595 HG12 ' CE ' ' A' ' 81' ' ' MET . 89.8 t -71.03 -39.3 74.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.121 179.86 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.516 HD13 ' CE ' ' A' ' 81' ' ' MET . 32.2 mm -66.12 -52.73 44.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.127 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.454 ' HA ' ' HG2' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -64.41 -25.49 68.04 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.911 179.827 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.668 ' CE1' HD11 ' A' ' 84' ' ' LEU . 42.4 t80 -80.99 -43.26 19.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.905 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . 0.595 ' CE ' HG12 ' A' ' 77' ' ' VAL . 15.1 ptp -74.2 -32.84 63.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.899 179.859 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.454 ' HG2' ' HA ' ' A' ' 79' ' ' LYS . 0.0 OUTLIER -70.57 -32.12 69.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.915 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 2.2 ptm180 -71.08 -29.32 65.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.82 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.702 HD13 ' HA ' ' A' ' 41' ' ' LYS . 17.4 mt -82.48 -53.7 5.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.941 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 25.8 mtt -57.28 -27.93 62.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.815 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 60.8 mt-30 -78.72 -50.42 11.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.849 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -70.71 -10.57 59.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.957 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 5.2 m -54.96 175.83 0.05 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.505 HG13 ' CD ' ' A' ' 90' ' ' GLU . 2.9 p -98.5 -31.81 3.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.137 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.505 ' CD ' HG13 ' A' ' 89' ' ' VAL . 37.1 mp0 -85.33 131.07 34.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.874 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.6 p -70.46 -25.87 63.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.834 -179.768 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.499 HG12 ' HB3' ' A' ' 90' ' ' GLU . 10.0 p -58.11 -23.79 22.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.134 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 16.8 m95 -68.91 -35.14 76.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.976 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -57.77 -41.21 81.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.924 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 16.3 mtm -72.61 -36.5 68.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.889 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -53.19 -45.01 68.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.104 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.806 ' CZ ' HD11 ' A' ' 101' ' ' LEU . 22.9 t80 -59.95 -41.63 92.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.922 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -68.13 -34.56 76.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.85 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 33.6 t80 -58.47 -46.42 86.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.847 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.642 HD11 HG23 ' A' ' 55' ' ' ILE . 5.8 mt -67.08 -41.02 86.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.112 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.806 HD11 ' CZ ' ' A' ' 97' ' ' PHE . 20.3 mt -66.31 -36.6 83.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.896 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -59.28 -25.81 64.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -98.78 -41.24 7.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.871 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.428 HG21 ' HB2' ' A' ' 62' ' ' CYS . 82.3 t -72.49 -59.18 3.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.183 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.795 ' HA ' HD23 ' A' ' 108' ' ' LEU . 15.4 mm-40 -48.76 -29.0 4.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.951 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 4.2 t -71.34 -55.39 13.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.137 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.7 HG11 HG22 ' A' ' 63' ' ' THR . 5.2 p -66.42 -26.71 38.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.103 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.896 HD21 ' HA ' ' A' ' 115' ' ' THR . 0.1 OUTLIER -74.33 -39.0 63.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.88 179.943 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . 0.41 ' N ' ' HG ' ' A' ' 108' ' ' LEU . 27.4 mt-30 -67.32 -41.0 85.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.927 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -64.53 -14.47 57.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.904 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 76.7 m -95.56 -60.66 1.61 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.108 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' TYR . . . . . 0.499 ' CE1' HG23 ' A' ' 66' ' ' ILE . 10.7 m-85 -103.31 -42.5 5.71 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.9 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 111.54 -14.56 27.41 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.421 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . 0.59 ' O ' HD11 ' A' ' 108' ' ' LEU . 1.1 t -93.06 -172.73 3.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.963 0.411 . . . . 0.0 110.902 -179.836 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . 0.896 ' HA ' HD21 ' A' ' 108' ' ' LEU . 71.9 p -152.86 -177.75 6.47 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.112 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.571 HD11 ' HA ' ' A' ' 75' ' ' ASP . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.928 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 208' ' ' SER . . . . . . . . . . . . . 1.4 p . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.862 0.363 . . . . 0.0 110.851 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 209' ' ' PHE . . . . . 0.597 ' CD1' HD11 ' A' ' 47' ' ' ILE . 70.7 t80 -79.56 -51.48 9.24 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 210' ' ' PHE . . . . . . . . . . . . . 73.5 m-85 -56.32 -25.1 47.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.904 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 211' ' ' ASP . . . . . . . . . . . . . 37.7 m-20 -74.44 -46.48 39.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.84 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 212' ' ' LYS . . . . . . . . . . . . . 16.6 ptpt -77.74 -18.36 56.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 213' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -83.95 -39.22 20.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.889 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 214' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--O 1.231 0.152 0 CA-C-O 120.791 0.246 . . . . 0.0 112.369 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -125.52 150.17 47.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.84 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.583 HD21 HD21 ' A' ' 40' ' ' LEU . 5.2 tp -104.49 111.87 24.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.959 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.457 ' HB1' ' HB3' ' B' ' 214' ' ' ARG . . . 55.03 28.95 11.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.135 179.84 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 94.59 13.0 55.13 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.505 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.48 ' HB2' HD11 ' A' ' 39' ' ' LEU . . . -104.0 113.31 26.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.876 0.369 . . . . 0.0 111.111 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 41.7 t -87.86 -46.53 15.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.156 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.658 ' O ' HG23 ' A' ' 36' ' ' VAL . 19.4 mt-10 -67.89 148.03 51.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.829 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 46.4 t80 -62.36 -49.82 74.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.898 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 6.0 p -51.29 -38.08 50.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.91 -179.8 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.438 ' HB3' ' HB1' ' A' ' 30' ' ' ALA . 3.6 m-20 -72.6 -30.13 64.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.861 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.658 HG23 ' O ' ' A' ' 32' ' ' GLU . 92.5 t -73.39 -56.52 9.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.166 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.726 ' HA ' HD12 ' A' ' 40' ' ' LEU . 2.8 ptmt -56.76 -34.01 67.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.907 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 45.9 m -65.75 -38.31 88.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.112 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.48 HD11 ' HB2' ' A' ' 30' ' ' ALA . 15.6 mt -70.26 -35.99 74.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.909 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.726 HD12 ' HA ' ' A' ' 37' ' ' LYS . 5.9 mt -72.07 -45.9 58.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.887 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.719 ' HA ' HD13 ' A' ' 84' ' ' LEU . 4.2 ttpt -52.4 -43.05 64.53 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.877 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.773 ' O ' HG22 ' A' ' 46' ' ' THR . 25.5 pt-20 -77.14 -41.59 41.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.845 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.476 ' HD1' HD13 ' A' ' 47' ' ' ILE . 39.0 t90 -63.61 -15.24 57.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.946 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.449 HG22 ' O ' ' A' ' 44' ' ' ILE . 37.2 mt -101.9 -13.51 8.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.131 179.863 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.586 HG23 ' O ' ' A' ' 41' ' ' LYS . 69.2 p -103.71 -55.8 2.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.134 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.773 HG22 ' O ' ' A' ' 42' ' ' GLU . 13.1 t -66.13 -16.51 64.02 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.153 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.593 HD11 ' CD1' ' B' ' 209' ' ' PHE . 3.4 mt -128.16 126.16 65.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.128 179.858 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -106.65 -26.25 11.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.794 -179.842 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -112.44 78.03 2.49 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.57 0.7 . . . . 0.0 110.946 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.68 150.82 69.18 Favored 'Trans proline' 0 C--O 1.231 0.137 0 C-N-CA 122.737 2.291 . . . . 0.0 112.316 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 31.1 mtp -98.59 159.36 15.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.88 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -55.57 -40.71 72.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.814 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 21.1 tp10 -64.28 -48.34 76.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.961 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -55.6 -49.78 71.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.926 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 53.9 mt -67.25 -31.53 53.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.132 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.6 mt -63.74 -37.7 88.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.991 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 4.7 mm-40 -54.59 -32.74 59.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.96 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 13.8 t -71.15 -34.96 56.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.105 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.467 HG22 ' HA ' ' A' ' 100' ' ' ILE . 96.8 t -63.36 -50.8 77.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.191 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 32.6 mmm-85 -59.53 -27.23 66.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.803 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 57.6 t80 -75.29 -53.76 8.22 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.897 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . 0.415 ' HB2' HG21 ' A' ' 104' ' ' VAL . 38.9 m -64.79 -43.41 93.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.907 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.753 HG22 HG11 ' A' ' 107' ' ' VAL . 38.2 p -57.73 -28.71 64.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.092 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 31.1 m-20 -73.74 -36.73 65.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.72 HD23 ' HB2' ' A' ' 74' ' ' LEU . 1.4 mp -54.24 -33.68 58.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.912 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.604 HD13 HG13 ' A' ' 107' ' ' VAL . 5.3 mt -63.35 -48.63 86.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.188 179.83 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -73.56 -32.2 64.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.884 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -82.69 -9.13 59.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.827 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 3.1 mmmt 63.36 41.18 7.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.881 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -113.71 35.39 4.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 179.793 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 33.2 mt -53.99 -23.29 12.77 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.885 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -50.46 -49.43 55.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.8 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.772 ' HA ' HD12 ' A' ' 76' ' ' LEU . 2.1 mtpt -78.63 -22.64 46.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.72 ' HB2' HD23 ' A' ' 65' ' ' LEU . 27.3 tp -58.96 -59.46 5.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.936 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.402 ' HA ' HD21 ' A' ' 116' ' ' LEU . 5.1 t0 -56.87 -26.99 59.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.901 179.826 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.772 HD12 ' HA ' ' A' ' 73' ' ' LYS . 38.8 mt -76.97 -44.39 31.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.96 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.568 HG12 ' CE ' ' A' ' 81' ' ' MET . 89.5 t -71.9 -36.88 59.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.202 179.787 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.767 HG21 HD22 ' A' ' 116' ' ' LEU . 31.9 mm -66.67 -53.31 36.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.184 179.871 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.473 ' HA ' ' HG2' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -64.45 -25.06 67.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.861 179.839 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.694 ' CE1' HD11 ' A' ' 84' ' ' LEU . 41.6 t80 -81.13 -44.09 18.43 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.991 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . 0.568 ' CE ' HG12 ' A' ' 77' ' ' VAL . 13.2 ptp -73.9 -32.93 63.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.854 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.473 ' HG2' ' HA ' ' A' ' 79' ' ' LYS . 0.0 OUTLIER -70.13 -31.87 69.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.838 179.917 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 3.5 ptm180 -71.37 -29.72 65.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.877 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.719 HD13 ' HA ' ' A' ' 41' ' ' LYS . 14.3 mt -82.1 -56.46 3.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.913 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 34.8 mtt -54.34 -27.35 35.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.859 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 55.8 mt-30 -79.63 -41.03 27.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.994 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -88.68 9.85 22.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.912 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 96.2 p -68.26 -178.11 1.01 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.874 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 3.1 p -98.76 -31.5 3.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.132 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.783 ' HB3' HG12 ' A' ' 92' ' ' VAL . 50.8 mm-40 -96.7 119.15 34.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.897 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -56.32 -25.71 49.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 -179.805 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.783 HG12 ' HB3' ' A' ' 90' ' ' GLU . 12.4 p -55.33 -30.79 25.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.165 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 5.8 m95 -62.71 -37.03 84.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.955 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 11.1 m120 -55.69 -41.11 73.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.899 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 20.2 mtm -72.36 -35.22 68.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.867 179.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -54.54 -40.79 69.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.143 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.753 ' CZ ' HD11 ' A' ' 101' ' ' LEU . 25.3 t80 -61.46 -48.65 80.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.864 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 37.2 t0 -60.57 -37.83 82.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.935 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 21.0 t80 -55.57 -44.83 77.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.832 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.467 ' HA ' HG22 ' A' ' 59' ' ' VAL . 9.3 mt -66.67 -47.94 81.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.051 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.753 HD11 ' CZ ' ' A' ' 97' ' ' PHE . 28.9 mt -59.79 -37.61 79.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.919 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -58.15 -25.46 61.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 179.787 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 6.9 m-80 -98.73 -42.4 7.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.919 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.415 HG21 ' HB2' ' A' ' 62' ' ' CYS . 79.3 t -71.58 -59.0 3.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.135 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.809 ' HA ' HD23 ' A' ' 108' ' ' LEU . 17.6 mm-40 -48.78 -28.82 3.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.933 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 4.8 t -72.09 -54.28 17.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.119 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.753 HG11 HG22 ' A' ' 63' ' ' THR . 5.4 p -67.06 -26.16 35.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.103 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.852 HD21 ' HA ' ' A' ' 115' ' ' THR . 0.1 OUTLIER -74.03 -38.4 64.04 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.844 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . 0.401 ' N ' ' HG ' ' A' ' 108' ' ' LEU . 18.1 mt-30 -67.15 -41.14 86.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 -63.98 -14.93 57.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 60.5 m -95.77 -60.59 1.61 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.152 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' TYR . . . . . 0.477 ' CE1' HG23 ' A' ' 66' ' ' ILE . 12.1 m-85 -102.12 -42.93 5.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.027 0.442 . . . . 0.0 110.949 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 111.59 -14.38 27.34 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.43 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . 0.581 ' O ' HD11 ' A' ' 108' ' ' LEU . 0.9 OUTLIER -95.03 -174.0 3.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.943 0.402 . . . . 0.0 110.86 -179.734 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . 0.852 ' HA ' HD21 ' A' ' 108' ' ' LEU . 74.9 p -152.56 -177.79 6.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.109 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.767 HD22 HG21 ' A' ' 78' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 208' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.871 0.367 . . . . 0.0 110.88 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 209' ' ' PHE . . . . . 0.593 ' CD1' HD11 ' A' ' 47' ' ' ILE . 70.8 t80 -82.28 -39.27 23.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.905 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 210' ' ' PHE . . . . . . . . . . . . . 30.3 m-85 -65.65 -26.69 67.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.875 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 211' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -76.64 -42.91 40.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 212' ' ' LYS . . . . . . . . . . . . . 7.3 ptmt -76.74 -24.64 53.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 213' ' ' LYS . . . . . . . . . . . . . 2.4 tppt? -82.89 -49.86 9.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.869 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 214' ' ' ARG . . . . . 0.457 ' HB3' ' HB1' ' A' ' 28' ' ' ALA . 52.2 ptt85 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.865 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo . . . . . 0 N--CA 1.466 -0.146 0 CA-C-O 120.723 0.218 . . . . 0.0 112.337 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.457 ' CG ' HG22 ' A' ' 31' ' ' VAL . 1.7 m120 -125.17 151.43 45.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.845 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.494 HD21 HD21 ' A' ' 40' ' ' LEU . 8.9 tp -107.23 114.14 27.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.925 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 54.54 27.79 8.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.182 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 94.95 13.08 54.38 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.521 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.463 ' HB2' HD11 ' A' ' 39' ' ' LEU . . . -103.86 113.16 26.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.819 0.343 . . . . 0.0 111.14 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.457 HG22 ' CG ' ' A' ' 26' ' ' ASN . 21.7 t -90.79 -37.04 8.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.101 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.736 ' O ' HG23 ' A' ' 36' ' ' VAL . 5.9 mm-40 -72.06 143.5 49.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.931 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 43.9 t80 -61.52 -51.17 69.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.835 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 52.2 p -52.28 -36.96 54.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -73.49 -29.5 62.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.83 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.736 HG23 ' O ' ' A' ' 32' ' ' GLU . 91.5 t -72.15 -56.42 10.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.191 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.509 ' HA ' HD12 ' A' ' 40' ' ' LEU . 4.8 ptmt -57.19 -31.99 66.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.854 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 54.3 m -67.04 -40.03 87.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.165 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.463 HD11 ' HB2' ' A' ' 30' ' ' ALA . 8.9 mt -69.62 -35.13 74.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.509 HD12 ' HA ' ' A' ' 37' ' ' LYS . 14.2 mt -71.95 -46.97 55.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.936 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.703 ' HA ' HD13 ' A' ' 84' ' ' LEU . 9.5 ttpt -52.1 -42.76 63.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.937 179.781 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.772 ' O ' HG22 ' A' ' 46' ' ' THR . 12.7 pt-20 -77.32 -41.96 38.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.883 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.476 ' HD1' HD13 ' A' ' 47' ' ' ILE . 39.1 t90 -63.8 -15.25 58.28 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.865 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.461 HG22 ' O ' ' A' ' 44' ' ' ILE . 33.4 mt -101.89 -12.78 8.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.121 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.584 HG23 ' O ' ' A' ' 41' ' ' LYS . 76.0 p -104.32 -55.8 2.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.131 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.772 HG22 ' O ' ' A' ' 42' ' ' GLU . 13.3 t -66.4 -15.72 63.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.175 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.621 HD11 ' CD1' ' B' ' 209' ' ' PHE . 3.4 mt -128.94 128.07 66.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.146 179.841 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -106.94 -25.16 11.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.794 -179.882 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -116.97 82.03 12.99 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-O 121.573 0.701 . . . . 0.0 110.826 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 148.59 65.56 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.626 2.217 . . . . 0.0 112.368 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 23.2 ttm -90.38 152.6 20.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.834 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -52.78 -34.13 51.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.835 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -71.52 -47.78 53.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.889 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -55.43 -47.67 75.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.836 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 51.2 mt -65.54 -31.64 54.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.123 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.4 mt -62.71 -38.98 92.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.933 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 8.0 mm-40 -54.52 -32.36 57.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.853 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 17.2 t -71.3 -34.62 54.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.135 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.604 HG22 ' HA ' ' A' ' 100' ' ' ILE . 96.1 t -65.63 -51.18 65.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.156 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 23.2 mmt85 -60.42 -26.0 66.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 61.1 t80 -75.26 -52.17 11.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.915 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 66.1 m -67.84 -45.51 74.44 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.866 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.589 HG23 HG22 ' A' ' 104' ' ' VAL . 46.4 p -56.35 -26.78 53.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.134 -179.882 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 60.6 m-20 -73.45 -37.81 65.71 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.826 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.669 HD23 ' HB2' ' A' ' 74' ' ' LEU . 1.6 mp -54.48 -33.02 58.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.911 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.667 HD13 HG13 ' A' ' 107' ' ' VAL . 3.2 mt -64.21 -44.78 97.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.114 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -73.88 -35.24 64.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.941 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 35.0 mm-40 -82.49 -9.01 59.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.904 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 27.4 mmtt 64.6 40.58 5.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.886 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -112.65 36.53 3.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.916 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 33.5 mt -54.15 -22.99 12.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.91 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 -50.37 -48.46 55.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.829 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.696 ' HA ' HD12 ' A' ' 76' ' ' LEU . 1.4 mtpm? -78.74 -22.39 46.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.833 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.669 ' HB2' HD23 ' A' ' 65' ' ' LEU . 25.2 tp -59.91 -50.54 73.36 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.913 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.533 ' HA ' HD21 ' A' ' 116' ' ' LEU . 0.9 OUTLIER -62.61 -29.26 70.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.875 179.815 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.696 HD12 ' HA ' ' A' ' 73' ' ' LYS . 21.3 mt -76.85 -45.26 29.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.829 -179.887 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.574 HG12 ' CE ' ' A' ' 81' ' ' MET . 99.3 t -70.21 -42.29 78.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.138 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.796 HG21 HD22 ' A' ' 116' ' ' LEU . 27.1 mm -64.17 -52.36 57.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.109 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.465 ' HA ' ' HG2' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -64.3 -25.31 67.99 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.863 179.852 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.664 ' CE1' HD11 ' A' ' 84' ' ' LEU . 38.2 t80 -80.64 -43.42 20.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.929 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . 0.574 ' CE ' HG12 ' A' ' 77' ' ' VAL . 14.5 ptp -74.38 -32.79 62.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.891 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.465 ' HG2' ' HA ' ' A' ' 79' ' ' LYS . 0.0 OUTLIER -70.51 -31.99 69.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.922 179.936 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 1.6 ptm180 -71.2 -29.52 65.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.848 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.703 HD13 ' HA ' ' A' ' 41' ' ' LYS . 19.1 mt -82.51 -55.33 4.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.851 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 29.6 mtt -55.25 -26.25 38.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.842 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 57.7 mt-30 -81.27 -55.07 4.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.877 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -65.41 -14.7 61.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.904 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 2.1 m -51.95 164.76 0.24 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.81 -179.702 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 2.4 m -85.35 -26.28 6.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.065 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.423 ' HB3' HG22 ' A' ' 92' ' ' VAL . 3.6 mm-40 -94.68 128.44 41.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 53.8 p -70.56 -25.71 63.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.842 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.423 HG22 ' HB3' ' A' ' 90' ' ' GLU . 29.2 m -55.02 -26.14 17.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.109 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 9.2 m95 -68.3 -35.45 77.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.935 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 12.5 m-80 -56.17 -38.7 71.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.895 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 19.6 mtm -72.42 -39.26 68.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -53.18 -38.92 63.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.072 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.784 ' CZ ' HD11 ' A' ' 101' ' ' LEU . 24.8 t80 -64.4 -48.64 74.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.848 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 39.3 t0 -60.42 -34.08 73.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.872 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 37.6 t80 -58.61 -48.74 79.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.908 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.604 ' HA ' HG22 ' A' ' 59' ' ' VAL . 5.7 mt -63.6 -39.02 83.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.162 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.784 HD11 ' CZ ' ' A' ' 97' ' ' PHE . 26.8 mt -69.71 -33.86 73.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -59.52 -29.32 67.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.86 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 20.2 m-80 -97.99 -37.74 9.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.89 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.589 HG22 HG23 ' A' ' 63' ' ' THR . 82.1 t -73.43 -60.64 2.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.14 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.829 ' HA ' HD23 ' A' ' 108' ' ' LEU . 18.5 mm-40 -49.22 -29.47 5.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.85 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 3.3 t -70.58 -53.2 23.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.065 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.667 HG13 HD13 ' A' ' 66' ' ' ILE . 7.5 p -68.7 -24.98 29.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.096 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.875 HD21 ' HA ' ' A' ' 115' ' ' THR . 0.1 OUTLIER -74.16 -38.81 63.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.939 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . 0.406 ' N ' ' HG ' ' A' ' 108' ' ' LEU . 24.7 mt-30 -66.17 -41.02 90.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.921 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -64.46 -14.85 59.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 73.6 m -95.63 -59.35 1.89 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.094 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 11.9 m-85 -104.44 -42.87 5.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.892 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 111.15 -14.3 28.45 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.426 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . 0.592 ' O ' HD11 ' A' ' 108' ' ' LEU . 1.2 t -95.14 -173.24 2.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.933 0.397 . . . . 0.0 110.827 -179.698 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . 0.875 ' HA ' HD21 ' A' ' 108' ' ' LEU . 67.4 p -152.48 -177.91 6.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.115 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.796 HD22 HG21 ' A' ' 78' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.912 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 208' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.953 0.406 . . . . 0.0 110.86 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 209' ' ' PHE . . . . . 0.621 ' CD1' HD11 ' A' ' 47' ' ' ILE . 76.9 t80 -69.01 -44.14 73.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.885 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 210' ' ' PHE . . . . . . . . . . . . . 28.8 m-85 -61.73 -25.44 67.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.904 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 211' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -73.25 -46.77 48.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.845 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 212' ' ' LYS . . . . . . . . . . . . . 7.7 ptpp? -71.08 -23.95 62.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.931 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 213' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -82.29 -49.43 10.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 214' ' ' ARG . . . . . . . . . . . . . 41.8 ptt85 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.907 179.997 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo . . . . . 0 N--CA 1.465 -0.191 0 CA-C-O 120.805 0.252 . . . . 0.0 112.292 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -125.97 147.57 49.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.835 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.63 HD21 HD21 ' A' ' 40' ' ' LEU . 10.4 tp -108.23 115.95 31.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.876 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 56.37 29.83 15.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.13 179.766 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 89.37 13.15 62.05 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.493 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -104.92 119.39 38.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.853 0.359 . . . . 0.0 111.052 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 21.8 t -93.74 -36.92 7.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.109 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.74 ' O ' HG23 ' A' ' 36' ' ' VAL . 33.2 mm-40 -72.82 146.27 46.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.916 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 42.1 t80 -62.85 -51.02 68.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.857 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 12.2 p -51.72 -37.58 51.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.872 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -73.26 -29.41 62.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.879 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.74 HG23 ' O ' ' A' ' 32' ' ' GLU . 88.8 t -72.36 -57.23 7.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.123 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.418 ' HA ' HD12 ' A' ' 40' ' ' LEU . 3.2 ptmt -56.62 -34.85 67.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 55.5 m -64.98 -36.87 85.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.16 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 12.9 mt -70.52 -36.62 73.85 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.932 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.63 HD21 HD21 ' A' ' 27' ' ' LEU . 13.8 mt -72.26 -46.18 57.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.909 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.728 ' HA ' HD13 ' A' ' 84' ' ' LEU . 0.9 OUTLIER -52.05 -43.0 63.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.899 179.805 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.776 ' O ' HG22 ' A' ' 46' ' ' THR . 12.0 pt-20 -77.17 -41.78 40.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.927 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.51 ' HD1' HD13 ' A' ' 47' ' ' ILE . 34.7 t90 -63.85 -15.26 58.46 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.885 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.474 HG22 ' O ' ' A' ' 44' ' ' ILE . 35.3 mt -102.23 -11.9 8.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.161 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.575 HG23 ' O ' ' A' ' 41' ' ' LYS . 77.4 p -105.58 -55.98 2.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.137 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.776 HG22 ' O ' ' A' ' 42' ' ' GLU . 12.6 t -66.9 -16.85 64.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.12 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.575 HD11 ' CD1' ' B' ' 209' ' ' PHE . 3.4 mt -128.05 127.58 67.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.139 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.8 m -106.81 -26.39 11.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.853 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -113.85 80.98 5.53 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.623 0.725 . . . . 0.0 110.884 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.83 147.93 63.53 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.652 2.235 . . . . 0.0 112.404 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 11.6 ttp -95.48 167.51 11.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.901 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.43 -58.1 9.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.923 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -51.72 -31.33 25.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -69.94 -49.89 47.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.896 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 63.4 mt -66.22 -42.76 91.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.145 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -51.84 -40.07 59.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 8.9 mm-40 -54.04 -32.18 53.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.875 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 12.0 t -72.98 -34.7 46.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.095 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.538 HG22 ' HA ' ' A' ' 100' ' ' ILE . 91.3 t -67.7 -52.45 40.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.156 179.877 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 40.8 mmm-85 -58.64 -25.8 63.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.913 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 69.9 t80 -75.46 -52.08 11.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.956 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 56.9 m -67.3 -46.1 74.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.892 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.74 HG22 HG11 ' A' ' 107' ' ' VAL . 34.8 p -53.51 -28.44 31.16 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.218 -179.864 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 43.2 m-20 -73.71 -38.02 64.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.894 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.813 HD23 ' HB2' ' A' ' 74' ' ' LEU . 1.0 OUTLIER -54.31 -32.78 57.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.891 -179.931 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.609 HD13 HG13 ' A' ' 107' ' ' VAL . 6.0 mt -65.46 -48.59 82.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.117 179.859 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -73.39 -28.38 61.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -86.96 -10.07 54.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 3.9 mmmm 63.99 42.96 5.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.922 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -115.64 35.72 4.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.853 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.629 HD11 ' CE2' ' A' ' 112' ' ' TYR . 21.4 mt -58.01 -17.25 16.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.96 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -50.15 -54.9 17.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.911 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.622 ' HA ' HD12 ' A' ' 76' ' ' LEU . 0.0 OUTLIER -78.92 -22.2 46.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.923 179.939 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.813 ' HB2' HD23 ' A' ' 65' ' ' LEU . 37.0 tp -53.59 -52.79 58.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.932 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.44 -27.77 68.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.862 179.855 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.622 HD12 ' HA ' ' A' ' 73' ' ' LYS . 42.3 mt -76.68 -44.01 35.49 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.928 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.497 HG12 ' CE ' ' A' ' 81' ' ' MET . 86.4 t -70.43 -40.55 77.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.149 179.793 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.773 HG21 HD22 ' A' ' 116' ' ' LEU . 29.6 mm -64.96 -53.07 45.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.174 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.46 ' HA ' ' HG2' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -64.36 -25.16 67.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.912 179.819 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.698 ' CE1' HD11 ' A' ' 84' ' ' LEU . 42.3 t80 -80.92 -43.42 19.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . 0.526 ' CE ' HD13 ' A' ' 78' ' ' ILE . 12.6 ptp -74.58 -31.88 62.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.853 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.46 ' HG2' ' HA ' ' A' ' 79' ' ' LYS . 0.0 OUTLIER -71.32 -32.2 68.31 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.872 179.956 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 2.3 ptm180 -71.52 -28.69 64.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.867 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.728 HD13 ' HA ' ' A' ' 41' ' ' LYS . 16.1 mt -82.67 -55.36 4.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 26.0 mtt -55.87 -25.98 44.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.933 179.804 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 51.3 mt-30 -80.85 -42.43 21.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.977 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -85.52 4.59 35.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.86 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 98.6 p -64.76 -177.41 0.33 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.858 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 2.9 p -100.12 -31.28 3.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.163 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.665 ' HB3' HG12 ' A' ' 92' ' ' VAL . 5.2 mm-40 -91.71 135.68 33.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.952 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 2.7 t -71.73 -23.72 61.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 -179.767 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.665 HG12 ' HB3' ' A' ' 90' ' ' GLU . 10.6 p -60.68 -28.93 43.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.153 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 4.6 m95 -64.05 -37.1 86.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.912 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -57.82 -41.99 83.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.899 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 17.6 mtm -72.65 -35.1 67.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.897 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -53.35 -44.92 68.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.095 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.79 ' CZ ' HD11 ' A' ' 101' ' ' LEU . 23.5 t80 -59.38 -44.98 92.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.884 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 42.2 t0 -62.46 -39.01 92.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 24.9 t80 -55.61 -48.75 74.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.896 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.538 ' HA ' HG22 ' A' ' 59' ' ' VAL . 9.2 mt -62.5 -40.3 87.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.171 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.79 HD11 ' CZ ' ' A' ' 97' ' ' PHE . 23.0 mt -67.78 -35.44 78.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.917 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -60.08 -27.31 66.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 179.835 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 5.2 m-80 -98.44 -38.21 9.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.894 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.476 HG23 ' O ' ' A' ' 100' ' ' ILE . 83.5 t -74.34 -59.32 3.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.078 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.822 ' HA ' HD23 ' A' ' 108' ' ' LEU . 13.4 mm-40 -48.96 -28.95 4.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.85 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 4.6 t -70.55 -56.98 9.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.116 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.74 HG11 HG22 ' A' ' 63' ' ' THR . 5.0 p -64.62 -25.63 38.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.108 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.862 HD21 ' HA ' ' A' ' 115' ' ' THR . 0.1 OUTLIER -74.04 -39.11 63.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.917 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . 0.404 ' N ' ' HG ' ' A' ' 108' ' ' LEU . 17.3 mt-30 -66.32 -41.22 89.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.942 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 -63.42 -15.58 58.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.93 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 55.5 m -95.68 -60.64 1.61 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.075 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' TYR . . . . . 0.629 ' CE2' HD11 ' A' ' 71' ' ' LEU . 7.6 m-85 -102.42 -43.06 5.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.957 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 111.01 -14.52 28.74 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.527 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . 0.579 ' O ' HD11 ' A' ' 108' ' ' LEU . 1.0 OUTLIER -94.46 -174.27 3.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.004 0.43 . . . . 0.0 110.883 -179.754 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . 0.862 ' HA ' HD21 ' A' ' 108' ' ' LEU . 68.0 p -152.49 -178.21 6.7 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.138 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.773 HD22 HG21 ' A' ' 78' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.895 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 208' ' ' SER . . . . . . . . . . . . . 34.3 p . . . . . 0 N--CA 1.457 -0.079 0 CA-C-O 120.939 0.4 . . . . 0.0 110.857 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 209' ' ' PHE . . . . . 0.575 ' CD1' HD11 ' A' ' 47' ' ' ILE . 80.1 t80 -82.58 -46.81 12.87 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.869 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 210' ' ' PHE . . . . . . . . . . . . . 67.8 m-85 -62.41 -24.68 67.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.863 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 211' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -76.23 -43.02 44.04 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.868 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 212' ' ' LYS . . . . . . . . . . . . . 19.3 ptpt -77.34 -23.91 50.82 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 213' ' ' LYS . . . . . . . . . . . . . 8.3 tmtt? -83.38 -44.57 14.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.884 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 214' ' ' ARG . . . . . . . . . . . . . 13.4 ptp180 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.865 179.971 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo . . . . . 0 N--CA 1.466 -0.106 0 CA-C-O 120.745 0.227 . . . . 0.0 112.426 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.526 ' ND2' HG22 ' A' ' 31' ' ' VAL . 1.6 m120 -126.16 135.32 51.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.921 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.574 HD21 HD21 ' A' ' 40' ' ' LEU . 12.5 tp -102.78 113.51 26.98 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.941 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 56.81 27.65 13.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.042 179.805 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 92.36 13.03 57.85 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.487 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.475 ' HB2' HD11 ' A' ' 39' ' ' LEU . . . -106.83 118.74 37.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.814 0.34 . . . . 0.0 111.065 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.526 HG22 ' ND2' ' A' ' 26' ' ' ASN . 22.0 t -95.38 -38.35 8.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.153 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.739 ' O ' HG23 ' A' ' 36' ' ' VAL . 6.4 mm-40 -72.22 143.48 48.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.933 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 43.3 t80 -58.53 -51.33 70.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.868 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.49 -37.47 49.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.837 -179.76 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -75.61 -29.72 59.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.922 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.739 HG23 ' O ' ' A' ' 32' ' ' GLU . 99.0 t -73.54 -49.43 36.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.088 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.526 ' HA ' HD12 ' A' ' 40' ' ' LEU . 6.3 pttt -63.48 -30.43 71.55 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 54.9 m -67.48 -39.99 85.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.224 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.475 HD11 ' HB2' ' A' ' 30' ' ' ALA . 15.1 mt -67.14 -37.53 83.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.925 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.574 HD21 HD21 ' A' ' 27' ' ' LEU . 8.7 mt -71.87 -45.06 62.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.728 ' HA ' HD13 ' A' ' 84' ' ' LEU . 9.0 ttpt -52.94 -44.54 67.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 179.868 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.794 ' O ' HG22 ' A' ' 46' ' ' THR . 23.1 pt-20 -77.26 -39.75 47.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.862 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.56 ' HD1' HD13 ' A' ' 47' ' ' ILE . 28.6 t90 -64.06 -14.87 57.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.893 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.475 HG22 ' O ' ' A' ' 44' ' ' ILE . 33.6 mt -103.36 -11.69 9.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.144 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.609 HG23 ' O ' ' A' ' 41' ' ' LYS . 81.2 p -105.09 -55.75 2.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.229 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.794 HG22 ' O ' ' A' ' 42' ' ' GLU . 12.7 t -68.7 -11.6 60.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.151 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.562 HD12 HG23 ' A' ' 46' ' ' THR . 3.2 mt -133.36 128.69 55.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.058 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -107.03 -25.59 11.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.865 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -114.35 81.71 6.88 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.671 0.748 . . . . 0.0 110.901 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 148.04 64.27 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.685 2.257 . . . . 0.0 112.369 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 7.1 ttp -93.59 148.02 22.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.868 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.694 ' HA ' HD12 ' A' ' 55' ' ' ILE . 4.9 tp10 -52.46 -52.27 55.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.889 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -51.78 -51.48 56.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -56.68 -34.09 67.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.863 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.694 HD12 ' HA ' ' A' ' 52' ' ' GLU . 20.0 mt -71.62 -41.68 71.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.17 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.405 HD23 ' O ' ' A' ' 52' ' ' GLU . 4.0 mm? -51.97 -38.21 55.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.884 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 3.0 mm-40 -56.36 -32.19 64.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.885 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 13.0 t -71.58 -34.67 53.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.175 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.573 HG22 ' HA ' ' A' ' 100' ' ' ILE . 88.4 t -67.35 -51.22 54.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.101 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 26.3 mmt180 -60.15 -26.31 66.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.459 ' OH ' HG21 ' A' ' 36' ' ' VAL . 59.3 t80 -74.87 -52.95 9.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.916 -179.847 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 57.4 m -66.88 -45.76 77.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.937 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.563 HG23 HG22 ' A' ' 104' ' ' VAL . 43.7 p -55.94 -26.01 45.95 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.165 -179.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 30.8 m-20 -73.54 -37.99 65.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.854 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.651 HD23 ' HB2' ' A' ' 74' ' ' LEU . 1.3 mp -54.74 -36.06 64.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.878 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.651 HD13 HG13 ' A' ' 107' ' ' VAL . 3.6 mt -61.66 -45.73 98.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.115 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -74.12 -34.13 63.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.897 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 68.4 mm-40 -82.58 -7.31 59.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.894 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 6.6 mmmt 63.55 39.94 8.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.893 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 35.7 m-20 -112.79 36.66 3.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.934 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.546 HD11 ' CZ ' ' A' ' 112' ' ' TYR . 33.9 mt -54.01 -23.04 12.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.867 -179.856 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -50.21 -49.27 53.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.889 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.723 ' HA ' HD12 ' A' ' 76' ' ' LEU . 1.3 mtpp -78.79 -22.87 45.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.651 ' HB2' HD23 ' A' ' 65' ' ' LEU . 22.0 tp -60.81 -62.05 2.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.936 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -53.31 -28.68 29.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.851 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.723 HD12 ' HA ' ' A' ' 73' ' ' LYS . 27.1 mt -76.66 -44.96 31.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.917 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.638 HG23 ' O ' ' A' ' 73' ' ' LYS . 87.7 t -69.93 -33.43 55.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.125 179.834 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.721 HG21 HD22 ' A' ' 116' ' ' LEU . 31.9 mm -70.22 -55.43 14.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.126 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.459 ' HA ' ' HG2' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -62.58 -25.19 67.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.933 179.828 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.673 ' CE1' HD11 ' A' ' 84' ' ' LEU . 52.9 t80 -79.32 -44.28 21.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.874 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . 0.535 ' CE ' HG12 ' A' ' 77' ' ' VAL . 15.2 ptp -74.42 -32.1 62.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.923 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.459 ' HG2' ' HA ' ' A' ' 79' ' ' LYS . 0.0 OUTLIER -70.19 -31.67 69.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 179.926 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 1.6 ptm180 -73.04 -29.8 63.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.905 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.728 HD13 ' HA ' ' A' ' 41' ' ' LYS . 17.0 mt -82.51 -55.9 4.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.881 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 39.1 mtt -54.41 -27.28 35.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.939 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 60.4 mt-30 -80.56 -55.4 4.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -64.22 -15.81 60.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.863 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 2.8 m -53.98 174.94 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 -179.776 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 3.1 p -94.96 -32.57 4.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.148 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.648 ' HB3' HG12 ' A' ' 92' ' ' VAL . 8.8 mm-40 -83.18 123.98 30.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.917 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 9.2 m -67.87 -26.47 66.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 -179.788 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.648 HG12 ' HB3' ' A' ' 90' ' ' GLU . 10.8 p -55.84 -25.87 19.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.124 179.886 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 16.6 m95 -65.27 -27.09 68.39 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.868 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 8.5 m-80 -66.36 -39.64 89.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.895 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 11.1 mtt -72.34 -39.66 67.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.941 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -54.93 -43.19 73.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.121 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.812 ' CZ ' HD11 ' A' ' 101' ' ' LEU . 24.7 t80 -60.52 -43.91 96.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -66.41 -33.94 76.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.807 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 38.2 t80 -60.02 -47.68 84.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.951 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.573 ' HA ' HG22 ' A' ' 59' ' ' VAL . 6.4 mt -65.39 -37.51 80.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.144 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.812 HD11 ' CZ ' ' A' ' 97' ' ' PHE . 7.8 mt -71.49 -33.2 69.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.955 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -60.26 -28.27 67.92 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.871 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 9.8 m-80 -98.21 -37.88 9.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.829 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.563 HG22 HG23 ' A' ' 63' ' ' THR . 80.6 t -73.71 -59.74 3.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.16 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.816 ' HA ' HD23 ' A' ' 108' ' ' LEU . 9.5 mm-40 -49.19 -29.72 5.94 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.933 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 4.4 t -70.66 -55.09 15.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.066 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.651 HG13 HD13 ' A' ' 66' ' ' ILE . 7.6 p -65.98 -24.8 34.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.185 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.854 HD21 ' HA ' ' A' ' 115' ' ' THR . 0.1 OUTLIER -74.17 -39.19 63.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.898 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . 0.404 ' N ' ' HG ' ' A' ' 108' ' ' LEU . 32.6 mt-30 -66.38 -41.11 89.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.868 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 -64.73 -14.39 58.52 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.926 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 84.5 m -95.64 -60.82 1.57 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.153 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' TYR . . . . . 0.546 ' CZ ' HD11 ' A' ' 71' ' ' LEU . 10.6 m-85 -101.69 -43.3 5.9 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.962 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 105.4 42.57 1.72 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.513 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . 0.412 ' O ' HD11 ' A' ' 108' ' ' LEU . 1.2 t -153.57 179.42 8.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.957 0.408 . . . . 0.0 110.89 -179.761 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . 0.854 ' HA ' HD21 ' A' ' 108' ' ' LEU . 69.4 p -152.03 150.74 30.31 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.114 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.721 HD22 HG21 ' A' ' 78' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.886 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 208' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.867 0.365 . . . . 0.0 110.918 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 209' ' ' PHE . . . . . 0.545 ' CD1' HD11 ' A' ' 47' ' ' ILE . 72.9 t80 -64.99 -45.32 86.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.774 -179.851 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 210' ' ' PHE . . . . . . . . . . . . . 40.2 m-85 -61.83 -25.44 67.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.821 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 211' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -76.57 -44.29 35.29 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.871 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 212' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.4 -18.92 56.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.953 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 213' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -86.62 -45.54 10.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.912 179.863 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 214' ' ' ARG . . . . . . . . . . . . . 26.5 ptt180 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.882 179.984 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.23 0.104 0 CA-C-O 120.762 0.234 . . . . 0.0 112.31 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.473 ' ND2' HG22 ' A' ' 31' ' ' VAL . 2.0 m120 -123.65 137.93 54.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.917 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.532 HD21 HD21 ' A' ' 40' ' ' LEU . 4.2 tp -102.13 114.09 27.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.968 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.46 ' HB3' HD13 ' A' ' 39' ' ' LEU . . . 55.93 31.23 17.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.095 179.841 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 89.29 12.69 62.83 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.507 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.576 ' HB2' HD11 ' A' ' 39' ' ' LEU . . . -105.45 117.75 34.82 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.796 0.332 . . . . 0.0 111.092 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.473 HG22 ' ND2' ' A' ' 26' ' ' ASN . 23.5 t -93.75 -41.36 12.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.163 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.743 ' O ' HG23 ' A' ' 36' ' ' VAL . 38.8 mt-10 -71.26 145.17 49.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.914 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 45.8 t80 -60.11 -50.35 74.05 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.873 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -52.12 -37.2 53.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.849 -179.758 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 61.0 m-20 -74.76 -29.45 61.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.897 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.743 HG23 ' O ' ' A' ' 32' ' ' GLU . 81.8 t -71.09 -54.42 17.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.161 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.446 ' HA ' HD12 ' A' ' 40' ' ' LEU . 6.3 pttt -58.93 -32.32 69.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.817 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 63.5 m -65.75 -39.2 90.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.132 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.576 HD11 ' HB2' ' A' ' 30' ' ' ALA . 19.5 mt -69.52 -36.38 76.36 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.937 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.532 HD21 HD21 ' A' ' 27' ' ' LEU . 14.1 mt -71.97 -45.99 58.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.928 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.715 ' HA ' HD13 ' A' ' 84' ' ' LEU . 11.3 ttpt -52.86 -43.7 66.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.892 179.798 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.781 ' O ' HG22 ' A' ' 46' ' ' THR . 25.2 pt-20 -77.45 -41.13 40.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.86 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.52 ' HD1' HD13 ' A' ' 47' ' ' ILE . 33.1 t90 -63.24 -15.42 57.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.93 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.453 HG22 ' O ' ' A' ' 44' ' ' ILE . 38.1 mt -102.11 -13.39 8.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.162 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.582 HG23 ' O ' ' A' ' 41' ' ' LYS . 71.7 p -103.78 -56.12 2.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.148 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.781 HG22 ' O ' ' A' ' 42' ' ' GLU . 12.7 t -66.64 -17.54 64.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.092 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.557 HD12 HG23 ' A' ' 46' ' ' THR . 3.2 mt -128.03 127.17 67.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.159 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -106.82 -25.76 11.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.858 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 86.4 m-20 -112.6 79.6 3.24 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.612 0.72 . . . . 0.0 110.906 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.66 143.26 50.75 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.706 2.27 . . . . 0.0 112.376 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 65.3 mtm -91.46 166.79 12.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.844 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -63.85 -57.76 8.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -51.67 -31.55 26.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.909 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -73.08 -39.75 65.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.909 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 19.6 mt -71.87 -41.81 69.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.144 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -52.15 -38.55 57.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.912 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -54.16 -31.26 52.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.945 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 11.7 t -73.46 -34.67 43.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.094 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.452 HG22 ' HA ' ' A' ' 100' ' ' ILE . 96.8 t -67.96 -51.83 45.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.089 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 16.8 mmm180 -58.72 -25.7 63.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.89 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.404 ' CG ' HD13 ' A' ' 27' ' ' LEU . 67.8 t80 -75.53 -51.84 12.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.862 -179.841 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . 0.414 ' HB2' HG21 ' A' ' 104' ' ' VAL . 33.5 m -67.44 -46.06 74.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.958 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.798 HG22 HG11 ' A' ' 107' ' ' VAL . 34.8 p -53.94 -27.73 32.81 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.185 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 71.5 m-20 -73.97 -37.51 64.47 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.857 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.808 HD23 ' HB2' ' A' ' 74' ' ' LEU . 0.9 OUTLIER -54.22 -37.97 65.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.906 -179.938 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.608 ' HA ' HD21 ' A' ' 71' ' ' LEU . 6.0 mt -59.97 -48.05 89.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.116 179.85 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -73.16 -32.98 65.21 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.938 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 48.0 mm-40 -83.91 -2.37 56.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.901 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 57.08 42.92 25.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.857 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -114.32 34.15 4.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.882 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.757 HD11 ' CE2' ' A' ' 112' ' ' TYR . 21.4 mt -56.6 -18.66 12.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.96 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -50.29 -54.82 18.65 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.886 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.784 ' HE2' HD11 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -78.56 -22.27 47.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.939 179.928 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.808 ' HB2' HD23 ' A' ' 65' ' ' LEU . 39.5 tp -53.94 -53.7 49.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.978 179.888 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.697 ' HA ' HD11 ' A' ' 116' ' ' LEU . 0.2 OUTLIER -61.61 -27.2 68.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 179.785 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.652 HD12 ' HA ' ' A' ' 73' ' ' LYS . 48.3 mt -76.7 -42.65 40.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.874 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.465 HG12 ' CE ' ' A' ' 81' ' ' MET . 92.4 t -70.79 -42.34 77.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.189 179.797 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.548 HD13 ' CE ' ' A' ' 81' ' ' MET . 30.4 mm -63.07 -53.72 42.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.147 179.862 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.446 ' HA ' ' HG2' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -63.8 -25.1 68.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.842 179.917 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.674 ' CE1' HD11 ' A' ' 84' ' ' LEU . 38.9 t80 -80.09 -43.7 21.3 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.885 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . 0.548 ' CE ' HD13 ' A' ' 78' ' ' ILE . 14.3 ptp -74.42 -31.95 62.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.842 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.446 ' HG2' ' HA ' ' A' ' 79' ' ' LYS . 0.0 OUTLIER -70.94 -32.09 68.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.892 179.912 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 2.4 ptm180 -71.2 -29.73 65.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.715 HD13 ' HA ' ' A' ' 41' ' ' LYS . 16.3 mt -82.45 -53.86 5.65 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.911 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 31.7 mtt -56.64 -29.93 62.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.861 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 68.2 mt-30 -78.16 -56.77 4.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.886 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -62.56 -17.63 60.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.893 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -51.69 167.05 0.11 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.81 -179.757 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 2.2 m -90.16 -25.51 5.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.149 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.449 ' HB3' HG12 ' A' ' 92' ' ' VAL . 21.8 mm-40 -93.48 128.15 39.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.88 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 16.2 m -71.63 -23.63 61.73 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.912 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.449 HG12 ' HB3' ' A' ' 90' ' ' GLU . 7.6 p -55.55 -24.76 16.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.121 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 11.3 m95 -74.09 -32.81 63.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.941 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 8.4 m-80 -60.05 -38.43 82.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.875 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 17.6 mtm -72.63 -36.27 67.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -56.79 -42.81 80.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.02 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.799 ' CZ ' HD11 ' A' ' 101' ' ' LEU . 23.5 t80 -58.59 -48.94 79.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.911 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 44.5 t0 -61.67 -37.88 85.71 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.854 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 31.6 t80 -56.95 -48.32 78.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.452 ' HA ' HG22 ' A' ' 59' ' ' VAL . 10.9 mt -64.61 -40.26 88.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.088 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.799 HD11 ' CZ ' ' A' ' 97' ' ' PHE . 18.2 mt -66.91 -36.02 81.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.915 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -59.45 -24.62 63.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.918 179.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 15.3 m-80 -98.76 -41.94 7.44 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.966 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.414 HG21 ' HB2' ' A' ' 62' ' ' CYS . 79.9 t -72.42 -58.72 4.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.107 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.817 ' HA ' HD23 ' A' ' 108' ' ' LEU . 13.3 mm-40 -48.87 -28.79 4.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.946 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 4.7 t -71.99 -55.01 14.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.069 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.798 HG11 HG22 ' A' ' 63' ' ' THR . 5.3 p -66.45 -26.0 36.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.154 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.856 HD21 ' HA ' ' A' ' 115' ' ' THR . 0.1 OUTLIER -74.06 -38.76 63.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.894 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . 0.407 ' N ' ' HG ' ' A' ' 108' ' ' LEU . 17.9 mt-30 -66.44 -41.06 89.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 50.8 mt-30 -63.55 -15.84 59.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 51.7 m -95.65 -58.98 1.97 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.149 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' TYR . . . . . 0.757 ' CE2' HD11 ' A' ' 71' ' ' LEU . 7.5 m-85 -104.77 -43.0 5.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.943 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 110.43 -14.55 30.27 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.48 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . 0.597 ' O ' HD11 ' A' ' 108' ' ' LEU . 0.8 OUTLIER -93.56 -174.51 3.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.002 0.429 . . . . 0.0 110.848 -179.78 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . 0.856 ' HA ' HD21 ' A' ' 108' ' ' LEU . 76.4 p -152.62 178.94 9.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.102 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.697 HD11 ' HA ' ' A' ' 75' ' ' ASP . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 208' ' ' SER . . . . . . . . . . . . . 1.2 t . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.863 0.363 . . . . 0.0 110.946 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 209' ' ' PHE . . . . . 0.479 ' CD1' HD11 ' A' ' 47' ' ' ILE . 73.3 t80 -80.73 -34.35 34.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.875 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 210' ' ' PHE . . . . . . . . . . . . . 32.5 m-85 -70.03 -25.83 63.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.875 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 211' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -75.74 -47.22 26.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.854 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 212' ' ' LYS . . . . . . . . . . . . . 1.3 pttp -67.94 -26.42 65.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 213' ' ' LYS . . . . . . . . . . . . . 15.0 tppt? -79.51 -54.23 6.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.936 179.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 214' ' ' ARG . . . . . . . . . . . . . 30.9 ptt180 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 179.968 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 N--CA 1.466 -0.135 0 CA-C-O 120.861 0.275 . . . . 0.0 112.327 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.529 ' ND2' HG22 ' A' ' 31' ' ' VAL . 1.5 m120 -124.9 135.38 52.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.934 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.498 HD21 HD21 ' A' ' 40' ' ' LEU . 13.0 tp -103.6 112.36 25.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.934 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.628 ' HB2' ' HB3' ' B' ' 210' ' ' PHE . . . 56.46 26.14 10.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.134 179.771 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 95.04 13.03 54.37 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.559 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.599 ' HB2' HD11 ' A' ' 39' ' ' LEU . . . -107.43 116.73 32.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.889 0.375 . . . . 0.0 111.058 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.529 HG22 ' ND2' ' A' ' 26' ' ' ASN . 19.3 t -94.62 -34.16 5.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.11 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.748 ' O ' HG23 ' A' ' 36' ' ' VAL . 41.6 mt-10 -75.75 144.85 41.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 41.0 t80 -58.72 -53.17 61.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.892 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 79.9 p -51.95 -36.36 49.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.857 -179.822 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 43.5 t0 -74.42 -30.56 61.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.844 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.748 HG23 ' O ' ' A' ' 32' ' ' GLU . 95.0 t -71.58 -54.93 15.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.148 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.737 ' HA ' HD12 ' A' ' 40' ' ' LEU . 5.9 pttt -57.66 -31.03 65.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.897 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 55.1 m -65.63 -42.78 91.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.114 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.599 HD11 ' HB2' ' A' ' 30' ' ' ALA . 9.7 mt -68.13 -32.95 73.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.932 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.737 HD12 ' HA ' ' A' ' 37' ' ' LYS . 11.8 mt -72.23 -48.86 39.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.931 179.867 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.724 ' HA ' HD13 ' A' ' 84' ' ' LEU . 11.5 ttpt -52.68 -41.75 64.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.912 179.793 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.778 ' O ' HG22 ' A' ' 46' ' ' THR . 12.2 pt-20 -77.27 -41.86 39.32 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.906 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.525 ' HD1' HD13 ' A' ' 47' ' ' ILE . 33.4 t90 -63.94 -14.79 56.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.874 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.49 HG22 ' O ' ' A' ' 44' ' ' ILE . 33.8 mt -103.27 -9.86 9.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.089 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.576 HG23 ' O ' ' A' ' 41' ' ' LYS . 77.9 p -108.21 -56.05 2.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.16 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.778 HG22 ' O ' ' A' ' 42' ' ' GLU . 12.7 t -66.12 -17.74 64.9 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.183 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.589 HD11 ' CD1' ' B' ' 209' ' ' PHE . 3.2 mt -126.99 128.23 70.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.128 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 36.6 m -106.95 -28.1 10.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.809 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -111.8 79.99 2.78 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-O 121.571 0.7 . . . . 0.0 110.831 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 150.46 68.26 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.71 2.273 . . . . 0.0 112.351 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 49.4 mtm -101.82 156.91 17.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.843 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -51.79 -30.59 23.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.898 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -71.89 -48.32 46.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -58.22 -44.2 88.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.901 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 29.2 mt -71.81 -37.94 63.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.168 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.408 HD23 ' HA ' ' A' ' 56' ' ' LEU . 8.7 mt -58.3 -41.23 83.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.935 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 19.1 mm-40 -54.25 -31.37 53.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.9 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 13.1 t -72.77 -35.04 48.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.143 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.597 HG22 ' HA ' ' A' ' 100' ' ' ILE . 87.4 t -63.69 -51.49 69.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.082 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 24.5 mmm180 -60.06 -25.96 65.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.831 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.531 ' OH ' HG21 ' A' ' 36' ' ' VAL . 72.7 t80 -75.5 -52.27 11.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.93 -179.79 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 86.9 m -67.5 -45.45 75.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.859 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.534 HG22 HG11 ' A' ' 107' ' ' VAL . 42.0 p -56.23 -27.06 53.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.152 -179.832 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -73.56 -34.59 65.22 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.8 HD23 ' HB2' ' A' ' 74' ' ' LEU . 1.1 mp -58.57 -33.37 69.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.939 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.663 HD13 HG13 ' A' ' 107' ' ' VAL . 3.6 mt -65.24 -49.64 77.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.103 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -73.9 -23.91 59.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.954 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 45.8 mm-40 -90.68 -9.64 46.07 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.824 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 64.0 42.48 5.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 45.2 m-20 -116.25 36.31 4.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.869 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.536 HD11 ' CZ ' ' A' ' 112' ' ' TYR . 22.9 mt -57.05 -18.47 14.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.882 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 68.0 tt0 -50.24 -54.69 19.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.859 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.785 ' HE2' HD11 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -79.12 -22.76 44.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.874 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.8 ' HB2' HD23 ' A' ' 65' ' ' LEU . 44.6 tp -53.92 -55.99 21.85 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.95 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.31 -27.66 64.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.901 179.786 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.604 HD12 ' HA ' ' A' ' 73' ' ' LYS . 43.2 mt -76.72 -44.58 32.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.925 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.585 HG12 ' CE ' ' A' ' 81' ' ' MET . 92.8 t -69.92 -40.08 78.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.126 179.869 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.5 HD13 ' CE ' ' A' ' 81' ' ' MET . 30.5 mm -64.99 -54.14 33.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.053 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.451 ' HA ' ' HG2' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -63.63 -25.26 68.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.878 179.87 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.676 ' CE1' HD11 ' A' ' 84' ' ' LEU . 37.5 t80 -80.37 -43.77 20.55 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . 0.585 ' CE ' HG12 ' A' ' 77' ' ' VAL . 14.3 ptp -74.22 -32.35 62.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.451 ' HG2' ' HA ' ' A' ' 79' ' ' LYS . 0.0 OUTLIER -70.82 -31.99 68.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.858 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 1.8 ptm180 -71.45 -28.54 64.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.876 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.724 HD13 ' HA ' ' A' ' 41' ' ' LYS . 17.0 mt -82.59 -53.96 5.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 22.1 mtt -57.54 -26.08 60.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 65.4 mt-30 -81.9 -42.07 20.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.867 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -83.81 1.96 40.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.888 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 95.9 p -62.44 -178.07 0.17 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.803 -179.737 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 3.1 p -99.78 -31.65 3.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.201 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.512 ' HB3' HG22 ' A' ' 92' ' ' VAL . 52.6 mm-40 -93.14 135.37 34.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.866 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.7 p -71.38 -24.71 62.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.89 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.512 HG22 ' HB3' ' A' ' 90' ' ' GLU . 19.1 m -58.93 -23.97 25.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.197 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 6.2 m95 -69.19 -35.44 76.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.932 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -56.88 -39.91 75.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.88 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 14.2 mtm -72.52 -34.61 67.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 179.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -53.56 -46.9 70.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.049 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.809 ' CZ ' HD11 ' A' ' 101' ' ' LEU . 21.4 t80 -59.52 -40.06 85.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.876 -179.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -67.01 -36.31 81.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.873 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 29.0 t80 -57.96 -47.83 81.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.904 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.597 ' HA ' HG22 ' A' ' 59' ' ' VAL . 6.9 mt -64.25 -39.71 86.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.142 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.809 HD11 ' CZ ' ' A' ' 97' ' ' PHE . 21.0 mt -68.87 -34.26 75.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.922 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -60.39 -28.77 68.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.872 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 38.3 m-80 -98.36 -36.89 9.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.513 HG23 ' O ' ' A' ' 100' ' ' ILE . 76.6 t -74.7 -60.03 2.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.184 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.835 ' HA ' HD23 ' A' ' 108' ' ' LEU . 17.1 mm-40 -49.24 -29.52 5.86 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.92 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 3.4 t -69.81 -53.74 22.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.155 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.663 HG13 HD13 ' A' ' 66' ' ' ILE . 7.1 p -68.62 -25.14 30.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.149 179.855 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.884 HD21 ' HA ' ' A' ' 115' ' ' THR . 0.1 OUTLIER -74.12 -39.37 63.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.88 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . 0.406 ' N ' ' HG ' ' A' ' 108' ' ' LEU . 15.3 mt-30 -66.1 -41.01 91.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.93 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 44.7 mt-30 -64.66 -14.67 59.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 72.8 m -95.39 -59.84 1.79 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.144 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' TYR . . . . . 0.536 ' CZ ' HD11 ' A' ' 71' ' ' LEU . 5.4 m-85 -104.43 -42.76 5.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 111.26 -14.33 28.18 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.523 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . 0.594 ' O ' HD11 ' A' ' 108' ' ' LEU . 1.2 t -94.5 -172.53 2.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.943 0.401 . . . . 0.0 110.876 -179.827 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . 0.884 ' HA ' HD21 ' A' ' 108' ' ' LEU . 72.4 p -152.51 178.93 9.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.186 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.935 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 208' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.889 0.376 . . . . 0.0 110.843 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 209' ' ' PHE . . . . . 0.589 ' CD1' HD11 ' A' ' 47' ' ' ILE . 73.4 t80 -67.58 -58.2 5.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.969 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 210' ' ' PHE . . . . . 0.628 ' HB3' ' HB2' ' A' ' 28' ' ' ALA . 64.7 m-85 -58.5 -25.22 62.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.931 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 211' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -75.77 -44.41 41.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.862 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 212' ' ' LYS . . . . . . . . . . . . . 21.0 ptmt -76.19 -22.66 55.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.86 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 213' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.94 -44.32 13.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.947 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 214' ' ' ARG . . . . . . . . . . . . . 18.0 ptp180 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.861 179.926 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo . . . . . 0 N--CA 1.465 -0.193 0 CA-C-O 120.828 0.262 . . . . 0.0 112.314 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.504 ' CG ' HG22 ' A' ' 31' ' ' VAL . 1.6 m120 -125.71 143.71 50.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.943 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.471 HD21 HD21 ' A' ' 40' ' ' LEU . 11.6 tp -96.43 105.75 17.88 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.936 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.679 ' HB1' ' HB3' ' B' ' 214' ' ' ARG . . . 56.51 41.02 29.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.142 179.784 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 87.16 0.28 85.3 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.476 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.546 ' HB2' HD11 ' A' ' 39' ' ' LEU . . . -91.19 109.85 21.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.85 0.357 . . . . 0.0 111.119 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.504 HG22 ' CG ' ' A' ' 26' ' ' ASN . 23.3 t -92.11 -41.11 12.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.16 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.456 ' O ' HG23 ' A' ' 36' ' ' VAL . 50.5 mm-40 -70.72 133.91 47.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.92 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 46.9 t80 -52.12 -49.54 63.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.916 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.78 -37.68 52.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.812 -179.805 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -74.58 -29.62 61.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.879 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.456 HG23 ' O ' ' A' ' 32' ' ' GLU . 92.0 t -72.18 -55.32 13.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.136 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.5 ' HA ' HD12 ' A' ' 40' ' ' LEU . 6.7 pttt -57.87 -31.83 67.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.824 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 53.1 m -67.42 -39.4 85.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.17 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.546 HD11 ' HB2' ' A' ' 30' ' ' ALA . 14.4 mt -67.31 -37.81 83.95 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.936 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.5 HD12 ' HA ' ' A' ' 37' ' ' LYS . 8.9 mt -72.02 -44.94 62.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.726 ' HA ' HD13 ' A' ' 84' ' ' LEU . 8.2 ttpt -52.77 -43.65 65.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.955 179.769 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.786 ' O ' HG22 ' A' ' 46' ' ' THR . 13.8 pt-20 -77.37 -40.83 42.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.847 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.487 ' HD1' HD13 ' A' ' 47' ' ' ILE . 35.5 t90 -63.52 -15.06 56.87 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.898 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.455 HG22 ' O ' ' A' ' 44' ' ' ILE . 34.9 mt -102.52 -13.08 8.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.137 179.879 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.593 HG23 ' O ' ' A' ' 41' ' ' LYS . 76.5 p -103.81 -55.67 2.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.147 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.786 HG22 ' O ' ' A' ' 42' ' ' GLU . 13.2 t -68.07 -16.84 64.19 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.133 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.564 HD12 HG23 ' A' ' 46' ' ' THR . 3.2 mt -129.03 125.44 62.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.178 179.861 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -106.87 -26.07 11.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.857 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 89.7 m-20 -114.11 80.07 5.34 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.612 0.72 . . . . 0.0 110.813 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.83 158.31 57.29 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.648 2.232 . . . . 0.0 112.353 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 69.6 mtm -105.13 172.23 6.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.888 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.516 ' O ' HD23 ' A' ' 56' ' ' LEU . 6.9 tt0 -61.74 -62.0 2.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.867 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 13.6 mp0 -51.66 -30.58 22.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.882 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -68.68 -47.04 67.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.842 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 59.0 mt -71.64 -41.29 71.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.164 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.516 HD23 ' O ' ' A' ' 52' ' ' GLU . 4.0 mm? -52.33 -40.75 62.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.878 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -54.1 -32.57 55.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.972 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 13.8 t -73.31 -35.01 45.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.151 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.597 HG22 ' HA ' ' A' ' 100' ' ' ILE . 89.8 t -65.66 -51.24 64.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.167 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 13.3 mmt180 -58.77 -25.61 63.23 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.877 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 69.3 t80 -75.37 -52.0 11.8 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.957 -179.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 88.7 m -67.72 -46.25 72.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.883 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.584 HG23 HG22 ' A' ' 104' ' ' VAL . 36.8 p -55.74 -26.02 43.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.146 -179.848 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -73.61 -38.11 65.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.598 HD23 ' HB2' ' A' ' 74' ' ' LEU . 1.7 mp -54.83 -33.84 62.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.877 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.666 HD13 HG13 ' A' ' 107' ' ' VAL . 3.5 mt -63.42 -46.9 94.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.083 179.843 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 56.3 mm-40 -74.26 -32.41 62.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.877 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -83.42 -8.54 59.37 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.938 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 3.8 mmmm 64.15 39.88 7.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.891 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -113.11 36.59 3.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.82 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.448 HD11 ' CZ ' ' A' ' 112' ' ' TYR . 37.0 mt -53.83 -23.39 12.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.971 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -50.51 -48.51 57.02 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.901 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.736 ' HA ' HD12 ' A' ' 76' ' ' LEU . 7.0 mtpt -78.9 -22.79 45.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.914 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.598 ' HB2' HD23 ' A' ' 65' ' ' LEU . 28.2 tp -57.9 -59.92 4.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.919 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.65 ' HA ' HD21 ' A' ' 116' ' ' LEU . 1.1 t70 -54.98 -26.43 36.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.818 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.736 HD12 ' HA ' ' A' ' 73' ' ' LYS . 54.1 mt -76.9 -52.27 9.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.573 HG12 ' CE ' ' A' ' 81' ' ' MET . 89.5 t -65.7 -34.51 70.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.156 179.812 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.818 HG21 HD22 ' A' ' 116' ' ' LEU . 31.0 mm -70.27 -54.79 17.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.133 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.462 ' HA ' ' HG2' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -63.85 -25.14 68.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 179.848 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.677 ' CE1' HD11 ' A' ' 84' ' ' LEU . 38.0 t80 -81.0 -43.38 19.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.958 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . 0.573 ' CE ' HG12 ' A' ' 77' ' ' VAL . 12.8 ptp -74.37 -32.01 62.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.909 179.84 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.462 ' HG2' ' HA ' ' A' ' 79' ' ' LYS . 0.0 OUTLIER -71.43 -32.21 68.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 2.3 ptm180 -70.77 -29.84 66.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.901 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.726 HD13 ' HA ' ' A' ' 41' ' ' LYS . 15.9 mt -82.15 -55.77 4.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.901 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 28.4 mtt -54.42 -26.61 31.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.94 179.806 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 59.1 mt-30 -79.1 -42.77 25.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.87 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -84.92 3.04 40.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.91 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.92 177.13 0.81 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.884 -179.768 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 3.4 p -95.71 -32.73 4.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.157 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.792 ' HB3' HG12 ' A' ' 92' ' ' VAL . 69.7 mm-40 -91.8 116.58 29.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.83 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.6 p -56.55 -25.02 50.86 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.872 -179.794 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.792 HG12 ' HB3' ' A' ' 90' ' ' GLU . 11.0 p -55.88 -29.07 25.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.157 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 5.6 m95 -62.95 -35.03 78.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.878 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 15.0 m-80 -57.56 -42.3 82.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.917 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 15.7 mtm -72.56 -31.57 65.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.862 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -58.38 -44.48 88.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.092 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.78 ' CZ ' HD11 ' A' ' 101' ' ' LEU . 26.2 t80 -60.81 -43.93 97.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.92 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -62.48 -38.36 89.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.815 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 21.8 t80 -56.72 -48.5 77.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.597 ' HA ' HG22 ' A' ' 59' ' ' VAL . 7.8 mt -61.38 -42.26 93.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.101 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.78 HD11 ' CZ ' ' A' ' 97' ' ' PHE . 24.4 mt -67.96 -33.89 75.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.862 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -60.14 -29.34 68.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.917 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 16.8 m-80 -98.2 -36.82 9.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.834 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.584 HG22 HG23 ' A' ' 63' ' ' THR . 87.7 t -74.31 -60.31 2.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.189 179.865 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.834 ' HA ' HD23 ' A' ' 108' ' ' LEU . 17.7 mm-40 -49.28 -29.56 6.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.934 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 3.4 t -69.96 -53.1 25.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.162 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.666 HG13 HD13 ' A' ' 66' ' ' ILE . 7.7 p -68.97 -24.79 28.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.11 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.887 HD21 ' HA ' ' A' ' 115' ' ' THR . 0.1 OUTLIER -73.85 -39.17 64.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.925 179.964 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . 0.407 ' N ' ' HG ' ' A' ' 108' ' ' LEU . 27.8 mt-30 -65.61 -41.25 92.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.936 179.887 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 51.4 mt-30 -64.2 -15.06 59.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.922 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 65.9 m -95.5 -59.11 1.95 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.206 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' TYR . . . . . 0.448 ' CZ ' HD11 ' A' ' 71' ' ' LEU . 8.2 m-85 -105.06 -42.84 5.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.849 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 110.87 -14.54 29.1 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.529 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . 0.6 ' O ' HD11 ' A' ' 108' ' ' LEU . 99.9 p -94.72 -172.78 2.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.949 0.404 . . . . 0.0 110.847 -179.727 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . 0.887 ' HA ' HD21 ' A' ' 108' ' ' LEU . 69.1 p -152.42 -177.63 6.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.136 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.818 HD22 HG21 ' A' ' 78' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.909 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 208' ' ' SER . . . . . . . . . . . . . 10.8 p . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.921 0.391 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 209' ' ' PHE . . . . . 0.504 ' CD1' HD11 ' A' ' 47' ' ' ILE . 71.0 t80 -64.25 -49.15 73.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.889 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 210' ' ' PHE . . . . . . . . . . . . . 56.5 m-85 -59.95 -27.02 66.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.822 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 211' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -72.18 -44.99 62.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 212' ' ' LYS . . . . . . . . . . . . . 8.4 pttt -76.17 -20.43 57.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.869 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 213' ' ' LYS . . . . . . . . . . . . . 1.6 tppt? -88.73 -38.23 14.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.923 179.827 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 214' ' ' ARG . . . . . 0.679 ' HB3' ' HB1' ' A' ' 28' ' ' ALA . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.846 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 -0.059 0 CA-C-O 120.75 0.31 . . . . 0.0 111.089 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.574 ' HB1' ' HD2' ' A' ' 25' ' ' PRO . . . -120.07 159.93 45.15 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.62 0.724 . . . . 0.0 111.103 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.574 ' HD2' ' HB1' ' A' ' 24' ' ' ALA . 53.4 Cg_endo -69.77 86.23 0.59 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.671 2.247 . . . . 0.0 112.325 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.638 ' ND2' HG22 ' A' ' 31' ' ' VAL . 1.5 m120 -124.43 141.14 52.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.828 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.453 HD22 HG13 ' A' ' 36' ' ' VAL . 2.5 tp -110.17 112.94 25.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.908 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.729 ' HB3' HD13 ' A' ' 39' ' ' LEU . . . 53.89 28.55 8.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.146 179.853 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 94.94 13.15 54.14 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.468 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.493 ' HB1' ' HB3' ' A' ' 35' ' ' ASP . . . -110.58 113.7 26.53 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.832 0.349 . . . . 0.0 111.062 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.638 HG22 ' ND2' ' A' ' 26' ' ' ASN . 18.4 t -91.48 -37.5 9.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.091 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.754 ' O ' HG23 ' A' ' 36' ' ' VAL . 37.4 mt-10 -71.37 143.37 50.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.876 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 37.5 t80 -58.84 -52.61 64.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.851 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.02 -37.0 42.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.89 -179.846 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.493 ' HB3' ' HB1' ' A' ' 30' ' ' ALA . 5.8 t0 -75.18 -31.51 60.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.884 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.754 HG23 ' O ' ' A' ' 32' ' ' GLU . 99.2 t -69.82 -57.41 8.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.052 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.723 ' HA ' HD12 ' A' ' 40' ' ' LEU . 6.5 pttt -55.13 -31.14 61.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.914 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 52.1 m -68.13 -38.76 82.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.09 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.729 HD13 ' HB3' ' A' ' 28' ' ' ALA . 67.0 mt -70.1 -35.29 74.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.723 HD12 ' HA ' ' A' ' 37' ' ' LYS . 6.4 mt -71.98 -47.27 53.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.938 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.654 ' HA ' HD13 ' A' ' 84' ' ' LEU . 7.8 ttpt -52.82 -44.37 66.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.871 179.795 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.788 ' O ' HG22 ' A' ' 46' ' ' THR . 11.9 pt-20 -75.91 -42.01 50.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.845 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.487 ' HD1' HD13 ' A' ' 47' ' ' ILE . 35.1 t90 -63.52 -14.82 54.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.418 HG22 ' O ' ' A' ' 44' ' ' ILE . 40.7 mt -102.33 -16.09 7.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.14 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.616 HG23 ' O ' ' A' ' 41' ' ' LYS . 74.1 p -100.04 -55.71 2.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.154 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.788 HG22 ' O ' ' A' ' 42' ' ' GLU . 13.2 t -66.32 -16.63 64.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.146 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.498 ' CD1' HG23 ' A' ' 46' ' ' THR . 3.3 mt -128.92 127.95 66.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.123 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 44.6 m -106.87 -24.32 12.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.833 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -113.86 79.13 4.41 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.609 0.719 . . . . 0.0 110.884 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 151.73 69.14 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.681 2.254 . . . . 0.0 112.326 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 74.6 mtm -101.32 163.85 12.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 45.7 tt0 -62.25 -34.97 77.54 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.877 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -66.62 -47.81 71.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.886 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -61.58 -47.56 84.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.893 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 48.8 mt -64.47 -30.41 50.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.108 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.9 mt -64.74 -38.21 90.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.915 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 5.5 mm-40 -54.01 -30.93 49.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.925 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 15.0 t -71.34 -34.87 55.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.116 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.512 HG22 ' HA ' ' A' ' 100' ' ' ILE . 98.0 t -64.46 -50.36 76.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.135 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 26.0 mmm180 -59.59 -26.83 65.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.904 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 72.5 t80 -75.5 -53.62 8.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.869 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . 0.417 ' HB2' HG21 ' A' ' 104' ' ' VAL . 21.2 m -65.11 -43.28 92.52 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.861 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.748 HG22 HG11 ' A' ' 107' ' ' VAL . 38.0 p -58.05 -28.32 64.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.159 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -74.02 -36.88 64.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.634 HD23 ' HB2' ' A' ' 74' ' ' LEU . 2.1 mp -54.02 -32.67 55.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.899 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.613 HD13 HG13 ' A' ' 107' ' ' VAL . 5.4 mt -64.85 -47.66 87.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.136 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -73.79 -34.23 64.55 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.859 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -81.83 -9.5 59.59 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.907 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 4.6 mmtm 63.76 39.92 8.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.915 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 53.6 m-20 -110.57 35.37 3.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 18.0 mt -53.27 -25.33 14.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.962 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -50.51 -46.62 57.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.923 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.788 ' HA ' HD12 ' A' ' 76' ' ' LEU . 5.8 mtpt -79.06 -22.92 44.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.89 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.634 ' HB2' HD23 ' A' ' 65' ' ' LEU . 22.5 tp -57.77 -62.18 1.98 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -54.58 -26.5 32.75 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.831 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.788 HD12 ' HA ' ' A' ' 73' ' ' LYS . 50.4 mt -76.97 -44.04 32.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.887 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.578 HG12 ' CE ' ' A' ' 81' ' ' MET . 85.2 t -71.29 -42.05 74.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.103 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.821 HG21 HD22 ' A' ' 116' ' ' LEU . 39.2 mm -59.08 -57.22 12.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.111 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.09 -34.27 75.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.892 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.63 ' CE1' HD11 ' A' ' 84' ' ' LEU . 56.5 t80 -66.13 -53.54 36.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.872 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.578 ' CE ' HG12 ' A' ' 77' ' ' VAL . 12.4 ptp -65.84 -27.42 68.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.873 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.89 -57.61 11.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.926 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 12.2 ptt180 -53.64 -26.84 23.98 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.873 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.654 HD13 ' HA ' ' A' ' 41' ' ' LYS . 31.4 mt -81.44 -54.09 5.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.879 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 27.5 mtt -61.03 -27.83 68.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.872 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 22.6 mm-40 -80.17 -50.0 10.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.963 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -69.17 -19.3 64.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.928 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 10.0 m -52.11 149.03 5.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.856 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 3.2 p -71.07 -32.07 46.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.16 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.66 ' HB3' HG22 ' A' ' 92' ' ' VAL . 3.0 mm-40 -85.26 125.63 33.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.916 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 9.7 p -71.53 -23.62 61.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.852 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.66 HG22 ' HB3' ' A' ' 90' ' ' GLU . 29.5 m -56.39 -24.29 18.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.162 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 24.4 m95 -65.36 -35.88 82.33 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.928 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -56.11 -39.94 72.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.908 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 23.0 mtm -70.8 -40.1 72.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -53.03 -40.83 64.2 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.096 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.665 ' CZ ' HD11 ' A' ' 101' ' ' LEU . 40.2 t80 -59.35 -47.82 83.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.891 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -64.57 -35.83 82.24 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.86 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 26.9 t80 -58.86 -44.14 90.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.895 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.512 ' HA ' HG22 ' A' ' 59' ' ' VAL . 11.6 mt -69.21 -39.36 79.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.12 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.665 HD11 ' CZ ' ' A' ' 97' ' ' PHE . 25.7 mt -68.51 -34.75 76.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.931 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -59.82 -26.79 66.06 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.821 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 28.3 m-80 -97.82 -40.41 8.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.417 HG21 ' HB2' ' A' ' 62' ' ' CYS . 76.3 t -71.85 -58.9 4.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.223 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.825 ' HA ' HD23 ' A' ' 108' ' ' LEU . 14.4 mm-40 -49.2 -29.24 5.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.933 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 5.3 t -71.38 -56.15 11.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.174 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.748 HG11 HG22 ' A' ' 63' ' ' THR . 5.8 p -65.01 -26.06 39.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.131 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.864 HD21 ' HA ' ' A' ' 115' ' ' THR . 0.1 OUTLIER -74.21 -38.55 63.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.951 179.874 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 15.5 mt-30 -67.1 -41.3 86.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.926 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 53.5 mt-30 -63.78 -14.91 56.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.866 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 60.5 m -95.81 -60.6 1.61 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.12 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . 0.49 ' CE1' HG23 ' A' ' 66' ' ' ILE . 11.3 m-85 -102.66 -42.7 5.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.948 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 111.58 -14.54 27.33 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.486 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.595 ' O ' HD11 ' A' ' 108' ' ' LEU . 36.3 m -93.33 -175.77 3.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.968 0.413 . . . . 0.0 110.837 -179.757 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . 0.864 ' HA ' HD21 ' A' ' 108' ' ' LEU . 70.8 p -152.68 -178.03 6.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.159 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.821 HD22 HG21 ' A' ' 78' ' ' ILE . 0.1 OUTLIER -94.12 147.14 23.44 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.903 179.943 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -96.13 102.52 14.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.852 179.804 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 4.8 m -117.79 111.12 33.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.178 179.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 9.1 t . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.15 -179.951 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 207' ' ' LYS . . . . . . . . . . . . . 11.5 tptm . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.739 0.304 . . . . 0.0 110.949 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 208' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -177.05 139.5 0.28 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.835 -179.816 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 209' ' ' PHE . . . . . 0.45 ' CD1' HD11 ' A' ' 47' ' ' ILE . 81.6 t80 -53.98 -40.98 67.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.896 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 210' ' ' PHE . . . . . 0.441 ' CD1' ' HB2' ' A' ' 28' ' ' ALA . 18.4 m-85 -65.05 -26.55 68.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.849 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 211' ' ' ASP . . . . . . . . . . . . . 42.3 t0 -75.3 -46.71 31.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.906 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 212' ' ' LYS . . . . . . . . . . . . . 10.4 pttt -72.17 -24.89 61.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.885 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 213' ' ' LYS . . . . . . . . . . . . . 4.7 tppt? -82.96 -45.25 14.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.908 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 214' ' ' ARG . . . . . . . . . . . . . 43.4 ptt85 -64.74 -32.51 74.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.856 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 215' ' ' SER . . . . . . . . . . . . . 2.4 t -76.96 -25.93 53.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.88 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 216' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -64.37 -44.82 90.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.853 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 217' ' ' ARG . . . . . . . . . . . . . 12.1 ptm180 -72.15 -39.16 68.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.848 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 218' ' ' ILE . . . . . . . . . . . . . 49.1 mt -68.97 -36.07 72.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.106 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 219' ' ' SER . . . . . . . . . . . . . 28.8 t -80.5 161.86 24.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.828 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 220' ' ' ASN . . . . . . . . . . . . . 3.5 t30 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.948 -179.942 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.81 0.338 . . . . 0.0 111.066 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.579 ' HB1' ' HD2' ' A' ' 25' ' ' PRO . . . -120.34 160.12 44.94 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.619 0.723 . . . . 0.0 111.025 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.579 ' HD2' ' HB1' ' A' ' 24' ' ' ALA . 54.3 Cg_endo -69.77 85.06 0.63 Allowed 'Trans proline' 0 N--CA 1.465 -0.188 0 C-N-CA 122.628 2.219 . . . . 0.0 112.375 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.641 ' ND2' HG22 ' A' ' 31' ' ' VAL . 2.6 m120 -119.18 135.28 54.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.875 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.504 HD21 HD21 ' A' ' 40' ' ' LEU . 8.5 tp -110.38 113.68 26.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.906 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.458 ' HB2' ' HB3' ' B' ' 210' ' ' PHE . . . 55.98 25.91 9.32 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.052 179.756 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 95.1 13.1 53.92 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.528 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.562 ' HB2' HD11 ' A' ' 39' ' ' LEU . . . -107.73 113.87 27.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.842 0.353 . . . . 0.0 111.106 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.641 HG22 ' ND2' ' A' ' 26' ' ' ASN . 22.4 t -93.27 -30.01 4.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.117 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.755 ' O ' HG23 ' A' ' 36' ' ' VAL . 63.5 mt-10 -77.56 142.41 39.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.852 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 37.3 t80 -57.79 -52.91 63.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.869 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.6 p -51.68 -36.6 47.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.859 -179.794 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 61.3 m-20 -75.38 -30.5 60.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.863 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.755 HG23 ' O ' ' A' ' 32' ' ' GLU . 96.5 t -70.26 -57.2 8.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.113 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.759 ' HA ' HD12 ' A' ' 40' ' ' LEU . 5.2 pttt -55.38 -30.57 60.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.924 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 51.7 m -65.92 -45.95 80.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.128 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.562 HD11 ' HB2' ' A' ' 30' ' ' ALA . 8.7 mt -64.82 -32.87 74.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.926 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.759 HD12 ' HA ' ' A' ' 37' ' ' LYS . 11.8 mt -72.06 -48.92 40.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.912 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.668 ' HA ' HD13 ' A' ' 84' ' ' LEU . 0.1 OUTLIER -52.77 -41.71 64.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.904 179.782 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.777 ' O ' HG22 ' A' ' 46' ' ' THR . 23.9 pt-20 -77.35 -41.98 38.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.858 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.507 ' HD1' HD13 ' A' ' 47' ' ' ILE . 35.3 t90 -64.04 -14.83 57.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.888 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.465 HG22 ' O ' ' A' ' 44' ' ' ILE . 34.8 mt -102.51 -12.38 8.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.125 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.574 HG23 ' O ' ' A' ' 41' ' ' LYS . 74.1 p -104.93 -55.48 2.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.126 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.777 HG22 ' O ' ' A' ' 42' ' ' GLU . 12.7 t -67.86 -17.46 64.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.217 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.507 HD13 ' HD1' ' A' ' 43' ' ' TRP . 3.4 mt -127.95 127.24 67.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.183 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -106.87 -25.39 11.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.897 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -115.07 80.33 6.91 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.715 0.769 . . . . 0.0 110.878 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 157.8 59.09 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.669 2.246 . . . . 0.0 112.316 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 32.9 mtm -106.25 160.18 15.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.885 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -56.22 -34.16 66.05 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.944 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 -66.68 -51.51 55.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.891 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -57.06 -49.15 76.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.9 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 60.8 mt -62.91 -31.83 53.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.106 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' A' ' 56' ' ' LEU . 10.4 mt -64.65 -40.08 94.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.905 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 43.5 mt-30 -54.03 -29.97 45.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.865 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 14.3 t -72.98 -34.78 46.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.141 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.52 HG22 ' HA ' ' A' ' 100' ' ' ILE . 94.1 t -64.69 -46.87 91.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.093 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -62.14 -32.41 73.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.861 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.401 ' CZ ' HG11 ' A' ' 36' ' ' VAL . 43.2 t80 -71.29 -48.92 47.83 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.875 -179.864 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . 0.409 ' HB2' HG21 ' A' ' 104' ' ' VAL . 15.3 m -67.88 -44.93 75.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.839 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.768 HG22 HG11 ' A' ' 107' ' ' VAL . 40.2 p -59.64 -25.09 64.4 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.158 -179.774 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -74.07 -36.7 64.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.919 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.654 HD23 ' HB2' ' A' ' 74' ' ' LEU . 1.3 mp -54.18 -38.05 65.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.913 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.61 HD13 HG13 ' A' ' 107' ' ' VAL . 5.7 mt -61.39 -45.21 99.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.097 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 35.2 mm-40 -73.7 -36.62 65.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.885 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -83.44 -0.67 51.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.868 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 55.56 40.78 31.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.906 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -112.07 32.97 5.12 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.815 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.649 HD11 ' CE2' ' A' ' 112' ' ' TYR . 31.0 mt -51.95 -24.41 6.43 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.964 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -49.93 -45.49 51.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.941 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.723 ' HA ' HD12 ' A' ' 76' ' ' LEU . 4.6 mttt -79.41 -24.47 42.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.877 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.654 ' HB2' HD23 ' A' ' 65' ' ' LEU . 32.2 tp -55.44 -60.73 3.01 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.889 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -54.16 -27.04 31.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.849 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.723 HD12 ' HA ' ' A' ' 73' ' ' LYS . 53.9 mt -76.87 -46.83 23.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.921 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.569 HG12 ' CE ' ' A' ' 81' ' ' MET . 90.6 t -68.86 -38.94 79.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.126 179.864 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.971 HG21 HD22 ' A' ' 116' ' ' LEU . 34.9 mm -63.2 -57.79 10.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.156 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.46 -32.25 72.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.874 179.85 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.591 ' CE1' HD11 ' A' ' 84' ' ' LEU . 53.7 t80 -67.03 -55.89 12.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.868 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.569 ' CE ' HG12 ' A' ' 77' ' ' VAL . 12.3 ptp -63.93 -27.36 69.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.842 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.39 -57.48 12.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.878 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 3.4 ptm180 -53.85 -26.18 23.23 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.86 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.668 HD13 ' HA ' ' A' ' 41' ' ' LYS . 52.6 mt -81.92 -53.23 6.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 20.2 mtt -62.8 -25.93 68.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.891 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 20.6 mm-40 -83.32 -46.0 13.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.851 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -74.99 -7.85 54.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.93 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 96.6 p -57.57 -178.44 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.813 -179.775 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.4 HG13 ' HG2' ' A' ' 90' ' ' GLU . 2.7 p -104.36 -31.67 2.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.135 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.658 ' HB3' HG22 ' A' ' 92' ' ' VAL . 7.2 mm-40 -90.35 120.9 31.87 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.939 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.1 t -61.84 -19.33 62.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.807 -179.739 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.658 HG22 ' HB3' ' A' ' 90' ' ' GLU . 26.4 m -60.77 -31.48 49.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.132 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 10.7 m95 -59.83 -38.79 83.02 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.888 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -56.55 -35.47 68.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.903 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 22.0 mtm -72.49 -40.9 66.53 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.88 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -52.95 -39.97 63.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.073 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.667 ' CZ ' HD11 ' A' ' 101' ' ' LEU . 40.8 t80 -59.99 -48.29 82.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.898 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -63.32 -37.14 86.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.894 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 21.9 t80 -59.01 -46.89 87.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.953 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.52 ' HA ' HG22 ' A' ' 59' ' ' VAL . 16.7 mt -65.66 -38.31 82.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.103 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.667 HD11 ' CZ ' ' A' ' 97' ' ' PHE . 24.2 mt -70.33 -33.68 71.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.899 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -60.07 -26.69 66.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.823 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -97.95 -39.66 8.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.926 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.43 HG23 ' O ' ' A' ' 100' ' ' ILE . 80.0 t -72.62 -58.74 4.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.129 179.859 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.818 ' HA ' HD23 ' A' ' 108' ' ' LEU . 12.8 mm-40 -49.02 -29.25 4.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 7.4 t -71.43 -55.95 12.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.151 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.768 HG11 HG22 ' A' ' 63' ' ' THR . 5.9 p -65.17 -26.37 39.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.167 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.883 HD21 ' HA ' ' A' ' 115' ' ' THR . 0.1 OUTLIER -74.28 -38.64 63.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.879 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -67.09 -40.66 86.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.937 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 56.0 mt-30 -64.07 -15.1 58.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.883 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 52.7 m -95.7 -60.73 1.59 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.136 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . 0.649 ' CE2' HD11 ' A' ' 71' ' ' LEU . 6.3 m-85 -102.54 -42.47 5.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.994 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 111.41 -14.51 27.76 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.678 -0.773 . . . . 0.0 112.42 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.577 ' O ' HD11 ' A' ' 108' ' ' LEU . 0.8 OUTLIER -93.01 -176.33 4.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.012 0.434 . . . . 0.0 110.79 -179.666 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . 0.883 ' HA ' HD21 ' A' ' 108' ' ' LEU . 75.0 p -152.53 176.75 11.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.165 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.971 HD22 HG21 ' A' ' 78' ' ' ILE . 0.1 OUTLIER -91.99 138.57 31.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.859 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.67 98.44 6.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.924 179.786 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 3.7 m -118.32 93.06 2.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.127 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.15 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 207' ' ' LYS . . . . . . . . . . . . . 19.7 ttpt . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.726 0.298 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 208' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -179.35 157.81 0.82 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.833 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 209' ' ' PHE . . . . . 0.492 ' CD1' HD11 ' A' ' 47' ' ' ILE . 61.4 t80 -65.25 -58.62 5.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.921 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 210' ' ' PHE . . . . . 0.458 ' HB3' ' HB2' ' A' ' 28' ' ' ALA . 30.9 m-85 -57.37 -24.62 56.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.885 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 211' ' ' ASP . . . . . . . . . . . . . 66.0 m-20 -76.51 -44.26 35.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.825 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 212' ' ' LYS . . . . . . . . . . . . . 16.0 ptmt -77.43 -18.98 56.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 213' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.79 -46.31 9.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.845 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 214' ' ' ARG . . . . . . . . . . . . . 15.2 ptt180 -55.44 -28.16 52.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.831 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 215' ' ' SER . . . . . . . . . . . . . 4.8 t -70.12 -26.22 63.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.848 -179.754 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 216' ' ' GLU . . . . . . . . . . . . . 33.4 mm-40 -61.12 -56.48 20.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.846 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 217' ' ' ARG . . . . . . . . . . . . . 12.3 ptm180 -63.71 -41.27 98.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.885 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 218' ' ' ILE . . . . . . . . . . . . . 48.2 mt -65.69 -25.34 36.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.139 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 219' ' ' SER . . . . . . . . . . . . . 30.9 t -91.78 -26.32 18.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.904 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 220' ' ' ASN . . . . . . . . . . . . . 5.0 t30 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.839 -179.968 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.831 0.348 . . . . 0.0 111.125 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.584 ' HB1' ' HD2' ' A' ' 25' ' ' PRO . . . -105.37 160.2 26.84 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.633 0.73 . . . . 0.0 111.086 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.584 ' HD2' ' HB1' ' A' ' 24' ' ' ALA . 52.6 Cg_endo -69.8 91.17 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.654 2.236 . . . . 0.0 112.298 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.654 ' ND2' HG22 ' A' ' 31' ' ' VAL . 1.5 m120 -126.2 135.24 51.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.878 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.541 HD21 HD21 ' A' ' 40' ' ' LEU . 9.1 tp -106.44 110.88 23.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.922 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 55.32 28.19 11.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.146 179.789 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 95.04 12.79 54.74 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.477 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.472 ' HB2' HD11 ' A' ' 39' ' ' LEU . . . -108.22 110.76 22.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.815 0.341 . . . . 0.0 111.065 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.654 HG22 ' ND2' ' A' ' 26' ' ' ASN . 21.3 t -91.89 -25.52 5.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.104 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.708 ' O ' HG23 ' A' ' 36' ' ' VAL . 22.7 mt-10 -82.83 140.4 32.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.832 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 44.8 t80 -55.96 -53.67 54.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.871 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.49 -36.45 44.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.926 -179.806 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 47.8 t0 -75.06 -31.49 61.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.881 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.708 HG23 ' O ' ' A' ' 32' ' ' GLU . 97.2 t -69.72 -56.77 10.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.108 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.789 ' HA ' HD12 ' A' ' 40' ' ' LEU . 6.6 pttt -55.5 -31.81 62.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.903 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 54.6 m -64.81 -45.54 85.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.182 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.472 HD11 ' HB2' ' A' ' 30' ' ' ALA . 13.8 mt -64.85 -32.69 74.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.919 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.789 HD12 ' HA ' ' A' ' 37' ' ' LYS . 10.3 mt -72.56 -49.98 28.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.935 179.822 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.645 ' HA ' HD13 ' A' ' 84' ' ' LEU . 0.4 OUTLIER -52.62 -40.82 63.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.872 179.865 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.787 ' O ' HG22 ' A' ' 46' ' ' THR . 26.5 pt-20 -77.14 -36.78 55.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.889 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.556 ' HD1' HD13 ' A' ' 47' ' ' ILE . 29.5 t90 -70.36 -15.1 62.82 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.973 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.639 HG22 ' O ' ' A' ' 44' ' ' ILE . 19.3 mt -106.16 6.38 10.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.149 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.516 HG23 ' O ' ' A' ' 41' ' ' LYS . 44.6 p -122.35 -54.81 1.87 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.187 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.787 HG22 ' O ' ' A' ' 42' ' ' GLU . 13.5 t -74.47 -6.92 51.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.2 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.556 HD13 ' HD1' ' A' ' 43' ' ' TRP . 3.2 mt -136.74 128.65 43.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.096 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.3 p -106.85 -25.36 11.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.828 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -112.25 78.44 2.5 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.593 0.711 . . . . 0.0 110.909 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 137.24 34.96 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.645 2.23 . . . . 0.0 112.348 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 10.9 ttm -86.65 156.54 19.96 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.823 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.452 ' O ' HD23 ' A' ' 56' ' ' LEU . 7.1 tt0 -57.13 -50.36 73.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.926 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 28.2 tp10 -51.79 -33.55 35.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.934 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -75.24 -39.72 59.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.818 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 60.1 mt -68.18 -44.4 84.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.168 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.452 HD23 ' O ' ' A' ' 52' ' ' GLU . 4.2 mm? -51.65 -38.51 55.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -54.24 -31.8 54.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.932 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 13.2 t -73.22 -34.51 44.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.139 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.441 ' O ' HG23 ' A' ' 63' ' ' THR . 98.8 t -66.3 -49.92 72.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.097 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 19.1 mmt180 -59.63 -27.28 66.19 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.814 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 72.6 t80 -74.94 -53.9 8.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.956 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . 0.424 ' HB2' HG21 ' A' ' 104' ' ' VAL . 19.5 m -64.77 -43.45 93.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.899 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.743 HG22 HG11 ' A' ' 107' ' ' VAL . 40.6 p -58.83 -27.27 64.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.159 -179.856 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -74.05 -36.41 64.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.85 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.634 HD23 ' HB2' ' A' ' 74' ' ' LEU . 1.7 mp -54.17 -36.92 63.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.926 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.6 HD13 HG13 ' A' ' 107' ' ' VAL . 5.6 mt -60.8 -47.32 93.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.131 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -73.83 -33.26 64.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.935 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -84.58 -1.87 56.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.852 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 4.3 mmmm 56.61 41.17 28.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -112.2 32.77 5.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.86 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.596 HD21 ' HA ' ' A' ' 66' ' ' ILE . 20.4 mt -53.14 -23.92 9.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.922 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -50.5 -47.14 57.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.856 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.726 ' HA ' HD12 ' A' ' 76' ' ' LEU . 0.6 OUTLIER -78.8 -23.42 45.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.634 ' HB2' HD23 ' A' ' 65' ' ' LEU . 22.7 tp -55.78 -61.87 2.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.921 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.46 ' OD1' HD21 ' A' ' 116' ' ' LEU . 1.1 m-20 -53.74 -27.24 27.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.869 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.726 HD12 ' HA ' ' A' ' 73' ' ' LYS . 52.5 mt -76.5 -45.42 31.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.98 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.501 HG12 ' CE ' ' A' ' 81' ' ' MET . 90.5 t -69.76 -39.29 77.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.107 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.43 ' HA ' ' HE3' ' A' ' 81' ' ' MET . 37.6 mm -63.09 -57.52 11.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.176 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.22 -33.07 72.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.858 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.615 ' CE1' HD11 ' A' ' 84' ' ' LEU . 55.1 t80 -66.35 -56.31 11.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.923 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.501 ' CE ' HG12 ' A' ' 77' ' ' VAL . 12.3 ptp -63.39 -27.18 69.13 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.942 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.89 -57.39 12.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.914 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 2.9 ptm180 -54.5 -26.16 29.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.84 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.645 HD13 ' HA ' ' A' ' 41' ' ' LYS . 58.2 mt -81.38 -54.38 5.52 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.901 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 25.8 mtt -61.74 -28.46 69.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.92 179.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 22.4 mm-40 -79.07 -47.49 16.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -72.18 -17.98 61.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.918 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 3.6 m -51.98 153.59 2.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.8 -179.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 3.8 p -76.28 -32.74 22.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.164 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.675 ' HB3' HG12 ' A' ' 92' ' ' VAL . 2.1 mm-40 -86.07 129.53 34.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.92 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 52.0 p -71.47 -25.93 62.5 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.868 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.675 HG12 ' HB3' ' A' ' 90' ' ' GLU . 11.3 p -54.82 -27.32 18.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.167 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 19.4 m95 -63.77 -37.76 88.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.912 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 8.3 m-80 -59.17 -35.29 73.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.912 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 21.3 mtm -72.33 -41.26 66.7 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.928 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -53.1 -40.04 63.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.11 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.66 ' CZ ' HD11 ' A' ' 101' ' ' LEU . 38.8 t80 -58.58 -51.4 70.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.866 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -61.14 -38.3 85.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 25.8 t80 -57.77 -47.76 81.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.902 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.422 ' HA ' HG22 ' A' ' 59' ' ' VAL . 19.5 mt -65.22 -39.97 87.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.104 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.66 HD11 ' CZ ' ' A' ' 97' ' ' PHE . 22.7 mt -67.84 -34.91 77.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.879 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -59.56 -25.4 64.53 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 29.3 m-80 -97.98 -42.04 7.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.84 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.424 HG21 ' HB2' ' A' ' 62' ' ' CYS . 74.8 t -71.14 -58.4 5.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.091 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.818 ' HA ' HD23 ' A' ' 108' ' ' LEU . 15.9 mm-40 -49.19 -29.15 5.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.938 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 5.9 t -71.69 -55.67 12.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.177 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.743 HG11 HG22 ' A' ' 63' ' ' THR . 5.2 p -65.47 -26.5 39.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.065 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.864 HD21 ' HA ' ' A' ' 115' ' ' THR . 0.1 OUTLIER -74.27 -38.57 63.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 179.95 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . 0.402 ' N ' ' HG ' ' A' ' 108' ' ' LEU . 26.1 mt-30 -67.54 -41.21 84.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.936 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 -64.04 -14.79 56.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.92 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 71.4 m -95.55 -60.85 1.57 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.164 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . 0.534 ' CE1' HD11 ' A' ' 71' ' ' LEU . 11.3 m-85 -102.17 -42.6 6.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.924 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 111.86 -14.39 26.69 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.528 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.585 ' O ' HD11 ' A' ' 108' ' ' LEU . 1.2 t -93.98 -174.72 3.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.956 0.408 . . . . 0.0 110.838 -179.74 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . 0.864 ' HA ' HD21 ' A' ' 108' ' ' LEU . 74.9 p -152.64 -179.5 7.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.217 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.46 HD21 ' OD1' ' A' ' 75' ' ' ASP . 0.2 OUTLIER -86.58 155.71 20.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.855 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.17 98.94 9.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 179.837 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.407 HG23 ' O ' ' A' ' 118' ' ' VAL . 6.0 m -117.81 107.06 21.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.147 179.85 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 25.8 m . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.075 -179.923 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 207' ' ' LYS . . . . . . . . . . . . . 28.0 tttp . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.887 0.375 . . . . 0.0 110.836 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 208' ' ' SER . . . . . . . . . . . . . 1.1 p -172.71 150.59 2.17 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.84 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 209' ' ' PHE . . . . . . . . . . . . . 42.1 t80 -67.48 -37.95 83.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.912 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 210' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -65.93 -24.54 66.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.891 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 211' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -75.16 -41.02 59.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 212' ' ' LYS . . . . . . . . . . . . . 11.8 ptmt -77.73 -18.55 56.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.931 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 213' ' ' LYS . . . . . . . . . . . . . 2.0 tmtt? -88.0 -41.23 13.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.906 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 214' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.81 -30.13 71.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.815 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 215' ' ' SER . . . . . 0.533 ' HA ' HD12 ' B' ' 218' ' ' ILE . 15.9 m -60.9 -61.96 2.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.842 -179.78 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 216' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -54.41 -36.64 64.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.885 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 217' ' ' ARG . . . . . . . . . . . . . 43.4 ttm-85 -61.21 -35.39 77.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.865 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 218' ' ' ILE . . . . . 0.533 HD12 ' HA ' ' B' ' 215' ' ' SER . 10.7 mt -71.57 -23.82 22.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.077 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 219' ' ' SER . . . . . . . . . . . . . 8.5 t -94.64 -174.19 3.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.942 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 220' ' ' ASN . . . . . . . . . . . . . 29.2 t30 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.865 -179.975 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.747 0.308 . . . . 0.0 111.103 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.593 ' HB1' ' HD2' ' A' ' 25' ' ' PRO . . . -102.91 160.37 26.42 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.592 0.71 . . . . 0.0 111.101 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.593 ' HD2' ' HB1' ' A' ' 24' ' ' ALA . 53.8 Cg_endo -69.8 96.54 0.6 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.748 2.299 . . . . 0.0 112.341 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.557 ' ND2' HG22 ' A' ' 31' ' ' VAL . 1.4 m120 -125.27 139.36 53.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.92 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.424 HD22 HG13 ' A' ' 36' ' ' VAL . 10.6 tp -105.72 113.56 27.2 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.936 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 55.37 27.57 10.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.038 179.806 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 94.42 12.99 55.35 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.519 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.557 ' HB2' HD11 ' A' ' 39' ' ' LEU . . . -105.5 111.89 24.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.743 0.306 . . . . 0.0 111.101 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.557 HG22 ' ND2' ' A' ' 26' ' ' ASN . 37.4 t -91.03 -32.18 5.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.13 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.523 ' O ' HG23 ' A' ' 36' ' ' VAL . 8.7 mt-10 -80.26 137.74 36.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.949 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 41.7 t80 -53.35 -50.89 64.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -51.99 -37.02 51.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.864 -179.795 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 80.7 m-20 -74.41 -29.88 61.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.901 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.565 HG21 ' OH ' ' A' ' 61' ' ' TYR . 96.3 t -71.51 -56.07 11.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.068 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.671 ' HA ' HD12 ' A' ' 40' ' ' LEU . 5.7 pttt -57.14 -30.37 64.37 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 57.5 m -69.5 -37.71 77.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.134 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.557 HD11 ' HB2' ' A' ' 30' ' ' ALA . 21.0 mt -70.2 -36.05 74.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.927 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.671 HD12 ' HA ' ' A' ' 37' ' ' LYS . 5.7 mt -72.22 -45.94 58.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.874 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.647 ' HA ' HD13 ' A' ' 84' ' ' LEU . 10.8 ttpt -53.24 -42.7 66.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.872 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.783 ' O ' HG22 ' A' ' 46' ' ' THR . 13.0 pt-20 -77.22 -42.26 38.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.833 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.503 ' HD1' HD13 ' A' ' 47' ' ' ILE . 35.6 t90 -63.65 -14.56 53.01 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.863 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.426 HG22 ' O ' ' A' ' 44' ' ' ILE . 45.1 mt -102.57 -15.26 7.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.048 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.591 HG23 ' O ' ' A' ' 41' ' ' LYS . 74.4 p -101.41 -55.89 2.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.128 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.783 HG22 ' O ' ' A' ' 42' ' ' GLU . 12.9 t -66.27 -16.41 64.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.138 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.627 HD11 ' CD1' ' B' ' 209' ' ' PHE . 3.3 mt -128.76 127.01 66.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.128 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -106.7 -25.57 11.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.835 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -112.65 78.32 2.73 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.553 0.692 . . . . 0.0 110.8 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 148.87 66.03 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.729 2.286 . . . . 0.0 112.325 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 18.3 mtm -95.38 155.89 16.55 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -55.07 -40.28 70.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.908 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -64.79 -49.23 71.51 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.888 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -55.26 -43.75 74.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.458 HG23 HD11 ' A' ' 100' ' ' ILE . 60.4 mt -69.26 -30.94 47.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.182 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.7 mt -64.29 -36.25 83.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.917 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 3.1 mm100 -54.6 -31.31 56.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.953 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 14.6 t -71.8 -34.62 52.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.142 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.52 HG22 ' HA ' ' A' ' 100' ' ' ILE . 92.9 t -63.03 -52.15 62.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.099 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 25.1 mmt180 -59.6 -25.81 64.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.86 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.565 ' OH ' HG21 ' A' ' 36' ' ' VAL . 74.2 t80 -75.27 -52.24 11.34 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.953 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 39.5 m -67.27 -46.24 74.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.88 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.768 HG22 HG11 ' A' ' 107' ' ' VAL . 35.0 p -52.84 -28.17 21.67 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.122 -179.872 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 58.9 m-20 -73.68 -38.6 64.84 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.837 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.826 HD23 ' HB2' ' A' ' 74' ' ' LEU . 1.0 OUTLIER -54.08 -31.72 52.7 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.892 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.622 HD13 HG13 ' A' ' 107' ' ' VAL . 5.6 mt -66.82 -49.64 72.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.041 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 48.3 mm-40 -73.17 -24.24 60.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.911 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -90.85 -10.95 40.8 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.889 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 59.4 mmtt 64.66 42.18 4.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.95 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -114.4 37.41 3.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.865 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 22.5 mt -57.67 -17.97 17.92 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.939 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -50.25 -55.7 14.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.961 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.678 ' HA ' HD12 ' A' ' 76' ' ' LEU . 0.0 OUTLIER -78.59 -22.38 47.18 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.93 179.93 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.826 ' HB2' HD23 ' A' ' 65' ' ' LEU . 44.3 tp -54.42 -57.27 11.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.92 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.78 -26.6 64.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.915 179.833 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.678 HD12 ' HA ' ' A' ' 73' ' ' LYS . 56.6 mt -76.79 -43.45 36.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.49 HG12 ' CE ' ' A' ' 81' ' ' MET . 92.6 t -69.03 -39.46 79.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.158 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.867 HG21 HD22 ' A' ' 116' ' ' LEU . 34.4 mm -63.16 -57.71 10.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.124 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.19 -32.17 71.93 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.637 ' CE1' HD11 ' A' ' 84' ' ' LEU . 60.3 t80 -67.36 -56.43 9.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.936 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.573 ' HA ' HD12 ' A' ' 84' ' ' LEU . 11.7 ptp -62.68 -27.52 69.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.89 179.85 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.52 -57.73 11.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 3.5 ptm180 -54.41 -25.67 26.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.869 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.647 HD13 ' HA ' ' A' ' 41' ' ' LYS . 43.1 mt -81.62 -53.65 6.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.927 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 19.4 mtt -63.31 -26.08 68.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.944 179.815 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 19.1 mm-40 -81.91 -42.18 19.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.919 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -80.6 -5.54 56.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 92.9 p -57.36 -179.17 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.824 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 2.7 p -104.18 -32.59 2.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.137 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.772 ' HB3' HG12 ' A' ' 92' ' ' VAL . 68.4 mm-40 -91.92 119.48 31.72 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.801 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -56.66 -24.98 52.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.8 -179.772 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.772 HG12 ' HB3' ' A' ' 90' ' ' GLU . 14.0 p -54.78 -32.06 25.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.098 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 7.9 m95 -61.25 -37.64 83.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.881 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 7.4 m120 -57.79 -38.46 75.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.909 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 33.8 mtm -72.47 -38.1 68.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.859 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -53.08 -43.48 66.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.12 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.663 ' CZ ' HD11 ' A' ' 101' ' ' LEU . 39.1 t80 -57.52 -46.64 83.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.953 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -65.32 -36.12 83.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.892 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 23.6 t80 -59.14 -43.23 92.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.52 ' HA ' HG22 ' A' ' 59' ' ' VAL . 13.1 mt -70.21 -38.51 74.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.102 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.663 HD11 ' CZ ' ' A' ' 97' ' ' PHE . 24.0 mt -69.41 -34.25 74.21 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.893 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -60.34 -27.3 67.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.864 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 9.1 m-80 -97.86 -38.61 9.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.944 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.458 HG23 ' O ' ' A' ' 100' ' ' ILE . 79.2 t -73.2 -59.07 3.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.16 179.831 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.829 ' HA ' HD23 ' A' ' 108' ' ' LEU . 14.4 mm-40 -49.18 -29.25 5.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 5.1 t -70.59 -57.06 8.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.187 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.768 HG11 HG22 ' A' ' 63' ' ' THR . 5.6 p -64.52 -25.28 37.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.144 179.852 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.865 HD21 ' HA ' ' A' ' 115' ' ' THR . 0.1 OUTLIER -74.41 -38.99 62.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 -179.964 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . 0.4 ' N ' ' HG ' ' A' ' 108' ' ' LEU . 23.0 mt-30 -66.89 -41.44 87.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.922 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -63.2 -15.52 57.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.904 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 57.1 m -95.67 -60.89 1.55 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.114 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -102.16 -43.03 5.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.86 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 111.48 -14.37 27.63 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.448 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.578 ' O ' HD11 ' A' ' 108' ' ' LEU . 1.2 t -93.21 -176.39 4.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.971 0.415 . . . . 0.0 110.89 -179.779 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . 0.865 ' HA ' HD21 ' A' ' 108' ' ' LEU . 70.8 p -152.74 -178.02 6.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.093 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.867 HD22 HG21 ' A' ' 78' ' ' ILE . 0.1 OUTLIER -96.75 149.73 21.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.945 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.26 96.73 10.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.898 179.789 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.481 HG11 ' CZ ' ' A' ' 97' ' ' PHE . 3.8 m -118.16 90.16 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.182 179.817 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 14.1 t . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.171 -179.948 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 207' ' ' LYS . . . . . . . . . . . . . 16.0 mttp . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.801 0.334 . . . . 0.0 110.948 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 208' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -179.43 141.1 0.16 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.822 -179.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 209' ' ' PHE . . . . . 0.627 ' CD1' HD11 ' A' ' 47' ' ' ILE . 70.7 t80 -56.02 -47.58 77.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.89 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 210' ' ' PHE . . . . . . . . . . . . . 40.2 m-85 -59.66 -24.36 63.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.854 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 211' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -76.73 -44.29 33.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.857 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 212' ' ' LYS . . . . . . . . . . . . . 11.6 pttt -77.37 -18.79 57.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.892 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 213' ' ' LYS . . . . . . . . . . . . . 8.7 tmtt? -86.67 -44.77 11.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.898 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 214' ' ' ARG . . . . . . . . . . . . . 38.4 ptt85 -56.53 -25.9 53.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.86 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 215' ' ' SER . . . . . 0.427 ' HA ' HD12 ' B' ' 218' ' ' ILE . 67.8 p -78.4 -25.99 46.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.824 -179.772 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 216' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -55.23 -55.25 33.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.922 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 217' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.38 -32.26 73.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.917 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 218' ' ' ILE . . . . . 0.427 HD12 ' HA ' ' B' ' 215' ' ' SER . 59.3 mt -72.72 -23.9 21.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.148 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 219' ' ' SER . . . . . . . . . . . . . 12.3 t -136.58 86.13 2.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 220' ' ' ASN . . . . . . . . . . . . . 6.9 m120 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.917 -179.958 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.049 0 CA-C-O 120.839 0.352 . . . . 0.0 111.149 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.548 ' HB1' ' HD2' ' A' ' 25' ' ' PRO . . . -120.37 159.34 48.22 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.54 0.686 . . . . 0.0 111.136 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.548 ' HD2' ' HB1' ' A' ' 24' ' ' ALA . 53.7 Cg_endo -69.72 86.64 0.57 Allowed 'Trans proline' 0 N--CA 1.465 -0.158 0 C-N-CA 122.746 2.298 . . . . 0.0 112.302 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.587 ' ND2' HG22 ' A' ' 31' ' ' VAL . 2.2 m120 -118.3 136.36 53.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.902 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.552 HD12 ' CG ' ' A' ' 61' ' ' TYR . 0.5 OUTLIER -107.19 114.94 29.3 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.954 179.919 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.537 ' HB3' HD13 ' A' ' 39' ' ' LEU . . . 56.56 29.01 14.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.116 179.775 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 90.56 12.97 60.36 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.426 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.543 ' HB2' HD11 ' A' ' 39' ' ' LEU . . . -107.78 117.4 34.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.862 0.363 . . . . 0.0 111.065 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.587 HG22 ' ND2' ' A' ' 26' ' ' ASN . 21.9 t -93.64 -45.26 13.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.069 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.644 ' O ' HG23 ' A' ' 36' ' ' VAL . 15.7 mt-10 -67.14 136.82 55.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.879 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 31.1 t80 -52.55 -51.52 59.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.822 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 74.2 p -51.71 -37.13 49.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.799 -179.727 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 68.6 m-20 -74.52 -29.47 61.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.853 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.644 HG23 ' O ' ' A' ' 32' ' ' GLU . 40.8 t -71.26 -56.88 9.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.184 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.75 ' HA ' HD12 ' A' ' 40' ' ' LEU . 3.0 ptmt -56.32 -34.56 66.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.947 179.842 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 51.7 m -62.99 -40.08 96.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.127 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.543 HD11 ' HB2' ' A' ' 30' ' ' ALA . 44.1 mt -66.56 -36.75 83.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.957 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.75 HD12 ' HA ' ' A' ' 37' ' ' LYS . 5.8 mt -71.95 -46.06 58.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.928 179.849 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.63 ' HA ' HD13 ' A' ' 84' ' ' LEU . 12.0 ttpt -52.7 -43.29 65.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.844 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.779 ' O ' HG22 ' A' ' 46' ' ' THR . 13.6 pt-20 -77.26 -42.83 35.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.834 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.493 ' HD1' HD13 ' A' ' 47' ' ' ILE . 38.9 t90 -63.58 -14.94 56.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.873 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.443 HG22 ' O ' ' A' ' 44' ' ' ILE . 53.3 mt -101.94 -14.68 8.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.128 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.572 HG23 ' O ' ' A' ' 41' ' ' LYS . 69.6 p -102.65 -55.86 2.36 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.136 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.779 HG22 ' O ' ' A' ' 42' ' ' GLU . 12.8 t -65.61 -16.71 63.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.1 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.506 HD11 ' CD1' ' B' ' 209' ' ' PHE . 3.3 mt -127.91 133.98 66.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.156 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -107.37 -33.11 7.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.805 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -110.75 82.68 3.07 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.523 0.678 . . . . 0.0 110.791 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 144.55 54.16 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.627 2.218 . . . . 0.0 112.377 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 9.0 ttp -89.09 159.76 17.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.896 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 81.0 tt0 -56.49 -51.44 68.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.92 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 66.7 mm-40 -52.31 -50.95 61.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.911 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -55.17 -47.11 75.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.905 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.405 HG23 HD11 ' A' ' 100' ' ' ILE . 57.1 mt -65.71 -30.77 51.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.151 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 7.1 mt -66.61 -35.54 80.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.955 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 3.5 mm-40 -54.1 -31.73 52.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.864 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 13.9 t -71.66 -34.64 52.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.112 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.496 HG22 ' HA ' ' A' ' 100' ' ' ILE . 97.5 t -63.77 -52.89 51.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.099 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 12.7 mmm180 -59.44 -26.56 65.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.89 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.552 ' CG ' HD12 ' A' ' 27' ' ' LEU . 72.1 t80 -75.53 -53.78 8.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.973 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . 0.421 ' HB2' HG21 ' A' ' 104' ' ' VAL . 17.6 m -65.44 -43.44 90.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.918 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.754 HG22 HG11 ' A' ' 107' ' ' VAL . 39.4 p -56.9 -27.15 60.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.132 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 62.0 m-20 -74.21 -37.25 63.92 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.819 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.62 HD23 ' HB2' ' A' ' 74' ' ' LEU . 1.9 mp -54.52 -33.74 60.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.856 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.601 HD13 HG13 ' A' ' 107' ' ' VAL . 5.4 mt -63.88 -47.89 88.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.119 179.841 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -73.73 -33.08 64.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.829 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -82.89 -8.43 59.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.829 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 3.2 mmmt 63.3 38.8 10.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -109.98 35.68 3.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.91 179.832 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.45 HD11 ' CZ ' ' A' ' 112' ' ' TYR . 19.3 mt -53.27 -24.88 12.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.904 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -50.46 -47.79 56.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.845 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.782 ' HA ' HD12 ' A' ' 76' ' ' LEU . 5.5 mtpt -78.73 -22.63 46.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.62 ' HB2' HD23 ' A' ' 65' ' ' LEU . 24.0 tp -58.02 -61.72 2.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.92 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.517 ' HA ' HD11 ' A' ' 116' ' ' LEU . 1.2 m-20 -54.27 -27.02 32.28 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.852 179.836 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.782 HD12 ' HA ' ' A' ' 73' ' ' LYS . 47.3 mt -76.72 -47.73 20.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.906 -179.878 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.492 HG23 ' O ' ' A' ' 73' ' ' LYS . 87.1 t -68.2 -37.75 78.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.12 179.822 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.705 HG21 HD22 ' A' ' 116' ' ' LEU . 33.7 mm -65.1 -57.34 11.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.155 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.83 -30.36 70.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.875 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.622 ' CE1' HD11 ' A' ' 84' ' ' LEU . 56.8 t80 -68.48 -56.72 7.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.907 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.475 ' HA ' HD12 ' A' ' 84' ' ' LEU . 12.9 ptp -62.35 -27.36 69.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.831 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.03 -57.4 13.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.934 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 3.7 ptm180 -54.66 -26.35 32.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.864 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.63 HD13 ' HA ' ' A' ' 41' ' ' LYS . 66.4 mt -80.72 -54.66 5.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.914 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 26.9 mtt -62.01 -28.63 69.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.844 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -78.84 -48.49 14.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.939 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -69.3 -19.88 63.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.951 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 21.8 m -51.75 152.96 2.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.806 -179.758 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.556 HG13 ' CD ' ' A' ' 90' ' ' GLU . 3.5 p -77.02 -33.05 20.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.211 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.556 ' CD ' HG13 ' A' ' 89' ' ' VAL . 46.8 mp0 -84.75 128.77 34.77 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.897 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 4.4 p -71.67 -24.39 61.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.839 -179.76 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.516 HG12 ' HB3' ' A' ' 90' ' ' GLU . 10.8 p -54.78 -26.33 16.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.132 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 37.4 m95 -65.66 -33.46 75.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.943 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 7.8 m-80 -60.85 -35.91 77.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.905 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 18.0 mtm -72.52 -39.8 67.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.877 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -53.48 -44.05 68.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.173 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.668 ' CZ ' HD11 ' A' ' 101' ' ' LEU . 32.1 t80 -56.57 -49.45 74.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.932 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.0 -35.89 81.73 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.819 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 19.4 t80 -60.66 -44.8 96.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.857 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.496 ' HA ' HG22 ' A' ' 59' ' ' VAL . 21.2 mt -68.78 -38.26 78.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.11 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.668 HD11 ' CZ ' ' A' ' 97' ' ' PHE . 21.3 mt -70.47 -33.98 71.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.935 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -59.79 -25.98 65.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.851 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 30.3 m-80 -97.81 -41.33 8.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.837 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.421 HG21 ' HB2' ' A' ' 62' ' ' CYS . 75.1 t -71.36 -58.5 5.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.151 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.818 ' HA ' HD23 ' A' ' 108' ' ' LEU . 14.3 mm-40 -49.04 -29.32 4.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.984 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 6.2 t -71.5 -55.41 13.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.112 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.754 HG11 HG22 ' A' ' 63' ' ' THR . 5.6 p -65.96 -25.47 36.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.14 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.855 HD21 ' HA ' ' A' ' 115' ' ' THR . 0.1 OUTLIER -74.17 -38.72 63.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.003 179.894 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -66.85 -41.11 87.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.944 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -63.36 -15.68 58.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.922 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 52.7 m -95.75 -60.48 1.64 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.145 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . 0.45 ' CZ ' HD11 ' A' ' 71' ' ' LEU . 9.5 m-85 -102.44 -43.11 5.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.97 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 111.09 -14.35 28.59 Favored Glycine 0 C--N 1.331 0.298 0 C-N-CA 120.659 -0.781 . . . . 0.0 112.498 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.59 ' O ' HD11 ' A' ' 108' ' ' LEU . 94.4 p -93.31 -177.7 4.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.941 0.4 . . . . 0.0 110.908 -179.768 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . 0.855 ' HA ' HD21 ' A' ' 108' ' ' LEU . 82.1 p -152.64 170.81 19.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.14 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.705 HD22 HG21 ' A' ' 78' ' ' ILE . 0.1 OUTLIER -86.82 142.9 27.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.73 97.8 10.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.977 179.764 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.488 HG11 ' CZ ' ' A' ' 97' ' ' PHE . 3.7 m -118.23 87.9 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.081 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 15.3 t . . . . . 0 C--N 1.33 -0.25 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.175 179.984 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 207' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.784 0.326 . . . . 0.0 110.914 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 208' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -179.11 146.7 0.31 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.909 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 209' ' ' PHE . . . . . 0.506 ' CD1' HD11 ' A' ' 47' ' ' ILE . 65.1 t80 -61.92 -36.86 82.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 210' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 -67.66 -25.83 65.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.91 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 211' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -75.72 -42.53 50.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.834 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 212' ' ' LYS . . . . . . . . . . . . . 11.2 ptpt -77.22 -24.99 51.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.866 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 213' ' ' LYS . . . . . 0.472 ' HG2' HD22 ' A' ' 39' ' ' LEU . 0.4 OUTLIER -77.92 -34.29 51.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.905 179.895 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 214' ' ' ARG . . . . . . . . . . . . . 2.2 ptm180 -74.16 -24.66 59.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.827 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 215' ' ' SER . . . . . . . . . . . . . 1.9 t -78.08 -50.47 11.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.868 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 216' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -53.54 -41.35 66.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.856 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 217' ' ' ARG . . . . . . . . . . . . . 8.0 ptm180 -68.51 -27.21 65.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.849 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 218' ' ' ILE . . . . . . . . . . . . . 61.6 mt -80.8 -38.06 16.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.204 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 219' ' ' SER . . . . . . . . . . . . . 48.2 t -135.59 115.08 12.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 220' ' ' ASN . . . . . . . . . . . . . 31.2 t30 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.831 -179.949 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 -0.052 0 CA-C-O 120.876 0.37 . . . . 0.0 111.141 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.576 ' HB1' ' HD2' ' A' ' 25' ' ' PRO . . . -106.63 160.2 27.11 Favored Pre-proline 0 C--N 1.331 -0.23 0 CA-C-O 121.633 0.73 . . . . 0.0 111.079 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.576 ' HD2' ' HB1' ' A' ' 24' ' ' ALA . 53.3 Cg_endo -69.78 83.25 0.71 Allowed 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.682 2.255 . . . . 0.0 112.347 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.615 ' ND2' HG22 ' A' ' 31' ' ' VAL . 1.7 m120 -118.38 135.31 54.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.969 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.623 HD22 HG13 ' A' ' 36' ' ' VAL . 7.5 tp -98.81 102.84 14.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.881 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.419 ' HB1' ' HB3' ' B' ' 214' ' ' ARG . . . 58.4 36.11 25.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.14 179.805 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 94.97 -7.88 70.11 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.465 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.455 ' HB2' HD11 ' A' ' 39' ' ' LEU . . . -88.66 111.14 21.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.842 0.353 . . . . 0.0 111.132 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.615 HG22 ' ND2' ' A' ' 26' ' ' ASN . 24.9 t -93.43 -37.65 8.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.141 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.561 ' O ' HG23 ' A' ' 36' ' ' VAL . 65.9 mt-10 -73.22 141.96 47.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.863 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 37.8 t80 -54.82 -51.53 65.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.896 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.8 p -52.04 -37.13 52.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.872 -179.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 83.3 m-20 -73.29 -29.98 63.09 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.861 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.675 HG21 ' OH ' ' A' ' 61' ' ' TYR . 97.5 t -72.01 -56.72 9.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.092 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.703 ' HA ' HD12 ' A' ' 40' ' ' LEU . 3.5 ptmt -56.43 -31.88 64.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.936 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 52.1 m -67.92 -38.45 82.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.113 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.455 HD11 ' HB2' ' A' ' 30' ' ' ALA . 65.2 mt -70.47 -35.44 73.31 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.86 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.703 HD12 ' HA ' ' A' ' 37' ' ' LYS . 6.8 mt -71.98 -46.68 56.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.925 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.675 ' HA ' HD13 ' A' ' 84' ' ' LEU . 3.5 ttpt -53.01 -43.08 66.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.836 179.827 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.775 ' O ' HG22 ' A' ' 46' ' ' THR . 12.1 pt-20 -76.89 -42.25 40.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.89 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.471 ' HD1' HD13 ' A' ' 47' ' ' ILE . 36.8 t90 -63.48 -14.84 54.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.91 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.413 HG22 ' O ' ' A' ' 44' ' ' ILE . 42.8 mt -101.93 -16.26 7.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.116 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.599 HG23 ' O ' ' A' ' 41' ' ' LYS . 77.5 p -100.26 -55.52 2.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.125 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.775 HG22 ' O ' ' A' ' 42' ' ' GLU . 13.1 t -66.45 -16.35 64.04 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.121 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.555 HD11 ' CD1' ' B' ' 209' ' ' PHE . 3.4 mt -129.67 126.24 62.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.129 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.5 m -106.87 -25.43 11.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.774 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -113.35 78.69 3.56 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.581 0.705 . . . . 0.0 110.861 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 153.01 69.25 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.707 2.271 . . . . 0.0 112.339 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 40.6 mtm -100.38 161.04 13.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.889 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -57.53 -36.4 71.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.872 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -67.38 -50.45 59.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -55.29 -51.44 66.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.777 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.487 HG23 HD11 ' A' ' 100' ' ' ILE . 57.9 mt -63.16 -30.74 50.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.157 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 5.3 mt -66.31 -37.82 86.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.883 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 24.1 mm100 -54.11 -29.53 45.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.881 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 15.2 t -73.3 -34.65 44.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.1 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.522 HG22 ' HA ' ' A' ' 100' ' ' ILE . 97.4 t -62.0 -52.16 63.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.132 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 30.8 mmt180 -59.5 -25.24 64.29 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.877 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.675 ' OH ' HG21 ' A' ' 36' ' ' VAL . 67.8 t80 -75.55 -52.22 11.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.857 -179.821 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 42.1 m -67.25 -45.91 75.31 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.884 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.774 HG22 HG11 ' A' ' 107' ' ' VAL . 38.0 p -54.03 -27.84 34.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.1 -179.836 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 75.2 m-20 -73.73 -37.85 64.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.88 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.817 HD23 ' HB2' ' A' ' 74' ' ' LEU . 0.9 OUTLIER -54.23 -35.84 62.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.909 -179.936 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.616 HD13 HG13 ' A' ' 107' ' ' VAL . 5.2 mt -61.52 -49.3 84.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.115 179.84 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -73.18 -30.42 63.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.886 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -86.09 -2.82 58.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.964 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER 56.46 43.22 26.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.905 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -114.49 33.51 5.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.821 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.603 HD11 ' CE2' ' A' ' 112' ' ' TYR . 20.9 mt -57.06 -18.18 13.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.926 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 18.7 tp10 -49.85 -54.66 18.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.918 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.762 ' HA ' HD12 ' A' ' 76' ' ' LEU . 0.0 OUTLIER -78.56 -22.75 46.73 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.954 179.941 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.817 ' HB2' HD23 ' A' ' 65' ' ' LEU . 38.0 tp -53.16 -52.39 58.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.12 -27.89 69.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.873 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.762 HD12 ' HA ' ' A' ' 73' ' ' LYS . 36.1 mt -76.17 -39.83 53.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.906 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 90.5 t -73.31 -45.95 51.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.149 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.747 HG21 HD22 ' A' ' 116' ' ' LEU . 28.8 mm -55.83 -55.16 19.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.149 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.52 -35.7 81.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.885 179.821 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.664 ' CE1' HD11 ' A' ' 84' ' ' LEU . 52.0 t80 -64.12 -50.34 68.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.94 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.583 ' HA ' HD12 ' A' ' 84' ' ' LEU . 10.7 ptp -67.76 -27.51 66.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.934 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.36 -57.22 13.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.896 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 4.7 ptm180 -53.66 -27.22 26.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.675 HD13 ' HA ' ' A' ' 41' ' ' LYS . 27.9 mt -81.24 -54.07 5.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.957 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 21.1 mtt -60.66 -29.41 69.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.931 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -78.21 -50.12 12.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.865 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -69.55 -18.53 63.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 7.2 m -51.67 151.37 3.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.833 -179.772 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 3.4 p -74.09 -32.06 31.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.198 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.621 ' HB3' HG12 ' A' ' 92' ' ' VAL . 2.4 mm-40 -84.57 126.62 33.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.877 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 2.2 t -71.61 -25.89 62.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.839 -179.752 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.621 HG12 ' HB3' ' A' ' 90' ' ' GLU . 10.8 p -55.02 -26.88 18.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.086 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 14.9 m95 -61.85 -34.84 76.71 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.961 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 7.3 m-80 -57.26 -38.78 74.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.863 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 23.2 mtm -72.47 -38.79 68.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.926 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -53.09 -45.33 68.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.061 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.619 ' CZ ' HD11 ' A' ' 101' ' ' LEU . 39.7 t80 -56.68 -46.58 81.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.859 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 42.8 t0 -65.24 -35.64 81.66 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 28.1 t80 -60.12 -45.06 94.26 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.912 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.522 ' HA ' HG22 ' A' ' 59' ' ' VAL . 13.0 mt -68.58 -38.45 79.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.136 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.619 HD11 ' CZ ' ' A' ' 97' ' ' PHE . 24.2 mt -69.49 -34.21 73.99 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.97 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -60.05 -27.57 67.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.815 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 10.8 m-80 -97.74 -39.13 9.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.849 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.46 HG23 ' O ' ' A' ' 100' ' ' ILE . 78.1 t -72.65 -58.96 3.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.093 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.831 ' HA ' HD23 ' A' ' 108' ' ' LEU . 13.7 mm-40 -49.07 -29.33 4.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.948 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 5.6 t -70.63 -57.15 8.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.109 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.774 HG11 HG22 ' A' ' 63' ' ' THR . 5.4 p -64.36 -25.73 38.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.108 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.864 HD21 ' HA ' ' A' ' 115' ' ' THR . 0.1 OUTLIER -74.34 -38.75 63.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.925 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 14.9 mt-30 -67.13 -41.33 86.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.926 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 45.9 mt-30 -63.86 -14.84 56.53 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.924 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 54.6 m -96.13 -60.27 1.66 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.134 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . 0.603 ' CE2' HD11 ' A' ' 71' ' ' LEU . 11.1 m-85 -102.69 -42.82 5.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.917 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 111.44 -14.5 27.69 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.486 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.575 ' O ' HD11 ' A' ' 108' ' ' LEU . 0.9 OUTLIER -94.08 -175.29 3.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.854 0.359 . . . . 0.0 110.917 -179.773 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . 0.864 ' HA ' HD21 ' A' ' 108' ' ' LEU . 67.2 p -152.61 176.35 11.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.13 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.747 HD22 HG21 ' A' ' 78' ' ' ILE . 0.1 OUTLIER -92.87 136.77 32.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.932 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.22 98.9 6.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 179.799 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 3.8 m -117.99 92.94 2.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.085 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 15.4 t . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.171 179.972 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 207' ' ' LYS . . . . . . . . . . . . . 18.4 mtmt . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.785 0.326 . . . . 0.0 110.923 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 208' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -178.16 149.32 0.54 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 209' ' ' PHE . . . . . 0.555 ' CD1' HD11 ' A' ' 47' ' ' ILE . 73.7 t80 -77.39 -40.81 42.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.961 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 210' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 -63.06 -25.38 68.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.86 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 211' ' ' ASP . . . . . . . . . . . . . 15.1 t0 -74.75 -47.23 32.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.86 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 212' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -70.55 -25.33 63.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 213' ' ' LYS . . . . . . . . . . . . . 10.3 tppt? -82.95 -53.37 5.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.919 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 214' ' ' ARG . . . . . 0.419 ' HB3' ' HB1' ' A' ' 28' ' ' ALA . 11.8 ptp180 -53.26 -28.67 28.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.885 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 215' ' ' SER . . . . . . . . . . . . . 1.7 t -64.49 -46.31 83.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 216' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -60.68 -32.05 71.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.937 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 217' ' ' ARG . . . . . . . . . . . . . 26.5 ttt-85 -71.46 -31.44 67.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.829 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 218' ' ' ILE . . . . . . . . . . . . . 22.4 mt -77.93 -56.97 6.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.127 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 219' ' ' SER . . . . . . . . . . . . . 1.4 p -78.07 140.87 39.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.84 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 220' ' ' ASN . . . . . . . . . . . . . 10.5 m-80 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.855 179.969 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.777 0.323 . . . . 0.0 111.108 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.554 ' HB1' ' HD2' ' A' ' 25' ' ' PRO . . . -90.8 160.12 39.02 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.609 0.719 . . . . 0.0 111.045 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.554 ' HD2' ' HB1' ' A' ' 24' ' ' ALA . 53.0 Cg_endo -69.85 96.1 0.59 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.644 2.229 . . . . 0.0 112.344 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.606 ' ND2' HG22 ' A' ' 31' ' ' VAL . 1.2 m120 -128.13 135.26 49.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.876 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.661 HD21 HD21 ' A' ' 40' ' ' LEU . 4.4 tp -103.07 110.86 22.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 55.11 28.05 10.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.086 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 95.03 13.11 54.13 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.492 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.502 ' HB2' HD11 ' A' ' 39' ' ' LEU . . . -108.12 110.47 22.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.865 0.364 . . . . 0.0 111.058 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.606 HG22 ' ND2' ' A' ' 26' ' ' ASN . 21.9 t -89.68 -34.02 6.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.123 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.746 ' O ' HG23 ' A' ' 36' ' ' VAL . 29.3 mt-10 -73.15 144.64 46.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.907 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 37.0 t80 -60.19 -52.77 63.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.881 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 13.5 p -52.15 -36.48 51.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.819 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 42.1 t0 -73.8 -29.66 62.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.885 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.746 HG23 ' O ' ' A' ' 32' ' ' GLU . 94.9 t -72.2 -56.28 10.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.14 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.476 ' HA ' HD12 ' A' ' 40' ' ' LEU . 3.6 ptmt -57.13 -33.51 67.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.854 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 54.2 m -65.77 -38.32 88.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.129 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.502 HD11 ' HB2' ' A' ' 30' ' ' ALA . 19.8 mt -70.43 -36.5 74.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.925 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.661 HD21 HD21 ' A' ' 27' ' ' LEU . 12.5 mt -71.86 -44.14 64.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.883 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.711 ' HA ' HD13 ' A' ' 84' ' ' LEU . 14.4 ttpt -52.0 -46.25 64.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.937 179.855 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.78 ' O ' HG22 ' A' ' 46' ' ' THR . 19.8 pt-20 -77.4 -40.6 43.08 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.83 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.482 ' HD1' HD13 ' A' ' 47' ' ' ILE . 32.2 t90 -63.07 -15.38 56.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.925 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.42 HG22 ' O ' ' A' ' 44' ' ' ILE . 45.6 mt -102.04 -15.6 7.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.142 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.605 HG23 ' O ' ' A' ' 41' ' ' LYS . 82.8 p -100.66 -56.0 2.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.113 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.78 HG22 ' O ' ' A' ' 42' ' ' GLU . 13.4 t -65.9 -14.39 61.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.072 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.613 HD11 ' CD1' ' B' ' 209' ' ' PHE . 3.4 mt -130.33 128.07 63.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.122 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -107.01 -26.41 11.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.851 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -114.74 80.98 6.83 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.613 0.721 . . . . 0.0 110.844 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 149.92 67.08 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.721 2.281 . . . . 0.0 112.243 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 6.3 mtp -98.3 152.16 19.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -54.59 -28.91 49.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.952 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -71.07 -42.23 69.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.825 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -69.38 -45.77 68.51 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.895 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 54.9 mt -64.35 -32.59 58.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.209 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 8.2 mt -63.03 -39.39 94.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.872 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 8.0 mm-40 -54.11 -30.98 50.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.891 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 15.0 t -71.85 -34.5 51.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.165 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.57 HG22 ' HA ' ' A' ' 100' ' ' ILE . 92.4 t -65.44 -52.06 56.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.085 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 17.6 mmm180 -59.51 -25.67 64.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.827 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.426 ' OH ' HG21 ' A' ' 36' ' ' VAL . 59.2 t80 -75.08 -52.65 10.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.935 -179.849 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 34.6 m -66.89 -45.84 76.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.859 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.713 HG22 HG11 ' A' ' 107' ' ' VAL . 36.0 p -53.81 -28.2 33.93 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.09 -179.809 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 39.4 m-20 -73.85 -38.18 64.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.897 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.826 HD23 ' HB2' ' A' ' 74' ' ' LEU . 0.9 OUTLIER -53.86 -30.56 46.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.965 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.612 HD13 HG13 ' A' ' 107' ' ' VAL . 5.9 mt -67.83 -47.03 81.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.201 179.798 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 37.0 mm-40 -73.12 -28.25 62.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 60.2 mm-40 -88.76 -11.22 45.63 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.895 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 48.4 mmtt 64.81 42.87 4.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.917 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -113.64 36.61 3.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.806 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.426 HD11 ' CE2' ' A' ' 112' ' ' TYR . 22.2 mt -57.24 -18.51 16.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.882 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 48.5 tt0 -49.91 -54.46 19.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.8 ' HE2' HD11 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -78.89 -22.19 46.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.862 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.826 ' HB2' HD23 ' A' ' 65' ' ' LEU . 36.7 tp -54.68 -58.01 9.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.941 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -57.21 -27.67 62.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.666 HD12 ' HA ' ' A' ' 73' ' ' LYS . 47.0 mt -76.6 -43.86 36.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.854 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.523 HG12 ' CE ' ' A' ' 81' ' ' MET . 90.9 t -70.36 -40.18 77.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.156 179.825 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.76 HG21 HD22 ' A' ' 116' ' ' LEU . 32.8 mm -63.67 -55.16 24.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.141 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.444 ' HA ' ' HG2' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -63.23 -25.57 68.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.944 179.775 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.669 ' CE1' HD11 ' A' ' 84' ' ' LEU . 38.4 t80 -79.05 -43.53 24.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.89 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.534 ' CE ' HD13 ' A' ' 78' ' ' ILE . 14.2 ptp -74.94 -31.93 61.62 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.922 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.444 ' HG2' ' HA ' ' A' ' 79' ' ' LYS . 0.0 OUTLIER -70.66 -31.82 68.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.917 179.886 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 10.1 ptt85 -71.97 -29.57 64.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.863 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.711 HD13 ' HA ' ' A' ' 41' ' ' LYS . 17.6 mt -82.35 -55.3 4.59 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.943 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 37.2 mtt -55.23 -26.53 40.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.864 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 59.4 mt-30 -80.21 -51.12 9.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.962 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -71.04 -10.04 59.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.923 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -55.66 177.05 0.05 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 -179.81 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 3.1 p -96.97 -32.73 4.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.161 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.702 ' HB3' HG12 ' A' ' 92' ' ' VAL . 77.7 mm-40 -85.5 125.73 33.28 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.916 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 5.4 p -66.82 -27.54 67.64 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.702 HG12 ' HB3' ' A' ' 90' ' ' GLU . 6.9 p -54.93 -27.41 18.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.169 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 11.1 m95 -63.29 -34.15 77.05 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.973 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 11.6 m-80 -57.82 -42.24 83.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.912 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 23.9 mtm -72.59 -38.09 67.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -53.15 -43.29 66.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.075 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.825 ' CZ ' HD11 ' A' ' 101' ' ' LEU . 24.4 t80 -61.28 -41.98 97.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.819 -179.867 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -67.82 -33.61 75.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.847 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 31.6 t80 -59.13 -45.27 91.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.855 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.57 ' HA ' HG22 ' A' ' 59' ' ' VAL . 6.0 mt -67.5 -42.41 86.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.188 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.825 HD11 ' CZ ' ' A' ' 97' ' ' PHE . 7.0 mt -66.2 -35.0 79.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.955 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -60.24 -27.77 67.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.877 179.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 13.7 m-80 -98.33 -37.8 9.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.444 HG23 ' O ' ' A' ' 100' ' ' ILE . 84.1 t -74.57 -59.83 2.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.099 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.816 ' HA ' HD23 ' A' ' 108' ' ' LEU . 8.3 mm-40 -49.0 -28.88 4.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.905 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 3.9 t -70.9 -57.14 8.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.124 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.713 HG11 HG22 ' A' ' 63' ' ' THR . 5.9 p -63.95 -25.15 37.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.136 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.829 HD21 ' HA ' ' A' ' 115' ' ' THR . 0.1 OUTLIER -74.09 -39.24 63.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 179.931 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . 0.404 ' N ' ' HG ' ' A' ' 108' ' ' LEU . 17.5 mt-30 -66.23 -41.09 90.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.951 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 -64.09 -14.95 58.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.87 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 53.2 m -95.77 -60.95 1.54 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.142 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . 0.426 ' CE2' HD11 ' A' ' 71' ' ' LEU . 11.1 m-85 -101.33 -43.18 6.03 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.952 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 104.98 42.42 1.8 Allowed Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.502 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 3.0 m -153.04 178.31 9.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.0 0.429 . . . . 0.0 110.855 -179.779 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . 0.829 ' HA ' HD21 ' A' ' 108' ' ' LEU . 58.7 p -151.74 145.01 24.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.193 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.76 HD22 HG21 ' A' ' 78' ' ' ILE . 0.0 OUTLIER -52.93 155.16 2.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.886 -179.957 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -111.61 99.1 7.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.967 179.773 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 5.8 m -111.12 110.95 34.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.143 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 10.2 t . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.14 -179.944 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 207' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.733 0.301 . . . . 0.0 110.926 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 208' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -168.73 151.35 5.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.835 -179.861 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 209' ' ' PHE . . . . . 0.613 ' CD1' HD11 ' A' ' 47' ' ' ILE . 82.7 t80 -67.69 -43.17 80.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.846 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 210' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 -60.37 -24.38 65.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 211' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -76.83 -44.26 33.08 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.808 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 212' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -77.29 -19.16 56.84 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.918 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 213' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -84.89 -44.0 13.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.935 179.855 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 214' ' ' ARG . . . . . . . . . . . . . 7.6 ptm180 -56.04 -25.34 44.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.858 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 215' ' ' SER . . . . . 0.68 ' HA ' HD12 ' B' ' 218' ' ' ILE . 29.4 t -73.85 -25.87 60.28 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 -179.834 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 216' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -53.75 -57.26 11.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.902 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 217' ' ' ARG . . . . . . . . . . . . . 2.8 ptt85 -57.78 -31.85 66.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.835 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 218' ' ' ILE . . . . . 0.68 HD12 ' HA ' ' B' ' 215' ' ' SER . 74.6 mt -67.15 -24.01 31.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.129 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 219' ' ' SER . . . . . . . . . . . . . 5.2 t -118.55 -171.46 2.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 220' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.901 -179.997 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.096 0 CA-C-O 120.708 0.29 . . . . 0.0 111.045 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.586 ' HB1' ' HD2' ' A' ' 25' ' ' PRO . . . -115.33 160.38 34.51 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.568 0.699 . . . . 0.0 111.072 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.586 ' HD2' ' HB1' ' A' ' 24' ' ' ALA . 54.4 Cg_endo -69.74 91.63 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.629 2.219 . . . . 0.0 112.388 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.529 ' ND2' HG22 ' A' ' 31' ' ' VAL . 1.8 m120 -123.83 145.82 48.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.857 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.514 HD21 HD21 ' A' ' 40' ' ' LEU . 12.8 tp -102.56 113.76 27.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.916 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.407 ' HB1' ' HB3' ' B' ' 214' ' ' ARG . . . 55.58 27.26 10.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.097 179.813 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 95.04 12.99 54.5 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.516 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.466 ' HB2' HD11 ' A' ' 39' ' ' LEU . . . -104.6 117.83 35.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.778 0.323 . . . . 0.0 111.058 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.529 HG22 ' ND2' ' A' ' 26' ' ' ASN . 31.6 t -94.58 -40.57 11.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.136 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.553 ' O ' HG23 ' A' ' 36' ' ' VAL . 37.7 mt-10 -69.81 136.3 50.64 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.886 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 48.4 t80 -55.19 -49.78 71.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.849 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -51.74 -37.8 52.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.871 -179.825 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -74.16 -29.57 61.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.861 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.553 HG23 ' O ' ' A' ' 32' ' ' GLU . 93.0 t -71.57 -57.25 7.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.186 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.555 ' HA ' HD12 ' A' ' 40' ' ' LEU . 6.5 pttt -56.48 -31.87 64.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.936 179.833 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 53.8 m -67.74 -38.75 83.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.149 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.466 HD11 ' HB2' ' A' ' 30' ' ' ALA . 10.8 mt -69.72 -36.06 75.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.904 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.555 HD12 ' HA ' ' A' ' 37' ' ' LYS . 10.2 mt -72.05 -45.97 58.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.938 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.717 ' HA ' HD13 ' A' ' 84' ' ' LEU . 11.1 ttpt -52.94 -42.88 65.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.907 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.772 ' O ' HG22 ' A' ' 46' ' ' THR . 13.1 pt-20 -77.21 -41.97 39.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.915 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.506 ' HD1' HD13 ' A' ' 47' ' ' ILE . 35.8 t90 -63.14 -15.41 56.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.928 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.449 HG22 ' O ' ' A' ' 44' ' ' ILE . 40.0 mt -101.93 -13.69 8.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.125 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.587 HG23 ' O ' ' A' ' 41' ' ' LYS . 71.4 p -103.65 -56.14 2.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.08 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.772 HG22 ' O ' ' A' ' 42' ' ' GLU . 13.1 t -64.92 -15.98 62.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.181 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.665 HD11 ' CD1' ' B' ' 209' ' ' PHE . 3.2 mt -127.35 130.36 70.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.078 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 58.6 m -107.39 -28.92 9.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.872 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -111.24 81.42 2.88 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.609 0.719 . . . . 0.0 110.898 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.85 138.49 37.65 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.663 2.242 . . . . 0.0 112.329 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 49.9 mtm -85.92 157.43 20.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -58.21 -40.24 81.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.898 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 39.6 tp10 -65.27 -46.76 79.18 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -57.39 -50.48 72.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.908 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 60.4 mt -64.43 -31.42 53.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.163 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.5 mt -63.19 -39.34 94.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.919 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 15.2 mm-40 -53.87 -32.28 52.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 16.1 t -71.0 -34.51 55.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.08 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.635 HG22 ' HA ' ' A' ' 100' ' ' ILE . 82.0 t -62.19 -51.68 69.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.159 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 12.8 mmm180 -58.85 -25.6 63.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.854 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 69.2 t80 -74.71 -52.69 10.91 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.916 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 67.5 m -67.75 -46.12 72.99 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.828 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.565 HG22 ' HA ' ' A' ' 104' ' ' VAL . 74.5 p -55.09 -26.61 39.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.12 -179.851 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 40.6 m-20 -73.55 -38.42 65.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.886 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.636 HD23 ' HB2' ' A' ' 74' ' ' LEU . 1.8 mp -54.47 -31.84 56.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.946 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.689 HD13 HG13 ' A' ' 107' ' ' VAL . 3.7 mt -65.41 -46.46 90.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.176 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 52.4 mm-40 -73.92 -34.04 64.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.846 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 39.2 mm-40 -82.36 -10.23 59.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 51.4 mmtt 65.08 40.08 5.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 22.8 m-20 -111.52 36.86 3.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.849 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 25.2 mt -53.81 -23.3 11.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.937 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -50.24 -49.33 53.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.928 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.714 ' HA ' HD12 ' A' ' 76' ' ' LEU . 5.0 mtpt -78.87 -22.7 45.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.864 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.636 ' HB2' HD23 ' A' ' 65' ' ' LEU . 23.9 tp -57.41 -55.6 32.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.956 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.779 ' HA ' HD21 ' A' ' 116' ' ' LEU . 4.9 t0 -59.02 -26.68 64.77 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.881 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.714 HD12 ' HA ' ' A' ' 73' ' ' LYS . 45.4 mt -76.93 -49.19 16.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.939 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.613 HG12 ' CE ' ' A' ' 81' ' ' MET . 88.6 t -68.27 -38.3 79.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.157 179.813 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.798 HG21 HD22 ' A' ' 116' ' ' LEU . 29.5 mm -67.07 -53.37 34.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.118 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.464 ' HA ' ' HG2' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -64.3 -25.16 67.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.942 179.826 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.685 ' CE1' HD11 ' A' ' 84' ' ' LEU . 38.7 t80 -81.03 -43.48 19.51 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.908 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.613 ' CE ' HG12 ' A' ' 77' ' ' VAL . 14.5 ptp -74.37 -32.5 62.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.95 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.464 ' HG2' ' HA ' ' A' ' 79' ' ' LYS . 0.0 OUTLIER -70.68 -32.34 69.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.87 179.923 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 2.4 ptm180 -71.14 -28.72 64.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.805 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.717 HD13 ' HA ' ' A' ' 41' ' ' LYS . 17.0 mt -82.6 -53.3 6.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.923 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 25.3 mtt -57.46 -29.22 64.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -78.25 -50.56 11.64 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.899 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -70.51 -10.61 59.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.916 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 5.1 m -55.08 176.98 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.886 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.475 HG13 ' CD ' ' A' ' 90' ' ' GLU . 2.7 p -99.64 -31.62 3.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.128 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.48 ' HB3' HG12 ' A' ' 92' ' ' VAL . 35.4 mp0 -83.47 132.35 34.96 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.909 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.2 m -71.51 -25.65 62.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.85 -179.781 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.48 HG12 ' HB3' ' A' ' 90' ' ' GLU . 9.5 p -61.11 -25.06 35.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.079 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 8.7 m95 -66.48 -34.14 77.25 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.002 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -58.13 -41.38 83.52 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.935 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 22.7 mtm -72.83 -34.07 66.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.855 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -53.49 -46.06 69.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.095 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.8 ' CZ ' HD11 ' A' ' 101' ' ' LEU . 25.4 t80 -61.29 -38.86 88.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.864 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -68.81 -34.1 74.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.888 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 38.2 t80 -58.89 -48.58 80.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.896 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.635 ' HA ' HG22 ' A' ' 59' ' ' VAL . 5.2 mt -63.77 -41.48 92.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.115 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.8 HD11 ' CZ ' ' A' ' 97' ' ' PHE . 22.6 mt -67.64 -33.05 74.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.972 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -60.96 -29.64 69.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.84 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 17.1 m-80 -98.31 -34.85 10.52 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.923 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.565 ' HA ' HG22 ' A' ' 63' ' ' THR . 81.2 t -76.2 -60.78 2.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.095 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.826 ' HA ' HD23 ' A' ' 108' ' ' LEU . 16.0 mm-40 -49.36 -29.24 5.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.896 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 3.0 t -69.29 -55.6 14.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.145 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.689 HG13 HD13 ' A' ' 66' ' ' ILE . 7.0 p -66.52 -25.14 34.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.07 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.884 HD21 ' HA ' ' A' ' 115' ' ' THR . 0.1 OUTLIER -74.39 -39.29 62.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.932 179.939 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . 0.406 ' N ' ' HG ' ' A' ' 108' ' ' LEU . 21.4 mt-30 -66.55 -40.85 89.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.958 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 44.3 mt-30 -64.41 -14.83 58.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 68.5 m -95.53 -59.66 1.83 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.22 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -104.47 -42.59 5.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.933 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 110.97 -14.39 28.9 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.468 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.592 ' O ' HD11 ' A' ' 108' ' ' LEU . 23.1 m -94.32 -172.65 2.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.902 0.382 . . . . 0.0 110.9 -179.731 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . 0.884 ' HA ' HD21 ' A' ' 108' ' ' LEU . 69.9 p -152.58 -177.91 6.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.112 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.798 HD22 HG21 ' A' ' 78' ' ' ILE . 0.1 OUTLIER -90.36 155.88 18.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.966 179.924 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.09 95.65 6.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.873 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.483 HG11 ' HZ ' ' A' ' 97' ' ' PHE . 4.1 m -118.73 92.23 2.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.146 179.848 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.223 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 207' ' ' LYS . . . . . . . . . . . . . 8.9 tptm . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.802 0.334 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 208' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -179.37 140.9 0.16 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.819 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 209' ' ' PHE . . . . . 0.665 ' CD1' HD11 ' A' ' 47' ' ' ILE . 83.7 t80 -55.99 -47.32 77.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.874 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 210' ' ' PHE . . . . . . . . . . . . . 38.2 m-85 -61.63 -28.42 69.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.858 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 211' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -72.83 -43.17 62.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.89 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 212' ' ' LYS . . . . . . . . . . . . . 8.1 ptpp? -77.48 -21.52 52.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.83 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 213' ' ' LYS . . . . . . . . . . . . . 5.2 tppt? -87.34 -49.71 7.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.876 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 214' ' ' ARG . . . . . 0.407 ' HB3' ' HB1' ' A' ' 28' ' ' ALA . 8.1 ptm180 -53.34 -33.96 55.59 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 215' ' ' SER . . . . . 0.774 ' HA ' HD12 ' B' ' 218' ' ' ILE . 0.2 OUTLIER -55.22 -55.83 26.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.845 -179.831 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 216' ' ' GLU . . . . . . . . . . . . . 76.5 mt-10 -62.6 -30.86 71.65 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.854 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 217' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.95 -42.39 81.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.825 -179.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 218' ' ' ILE . . . . . 0.774 HD12 ' HA ' ' B' ' 215' ' ' SER . 7.2 mt -56.57 -33.42 39.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.107 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 219' ' ' SER . . . . . . . . . . . . . 47.7 t -81.77 144.3 31.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.831 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 220' ' ' ASN . . . . . . . . . . . . . 28.7 m-20 . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.871 179.994 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.083 0 CA-C-O 120.788 0.328 . . . . 0.0 111.149 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.594 ' HB1' ' HD2' ' A' ' 25' ' ' PRO . . . -119.33 160.41 41.66 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.577 0.703 . . . . 0.0 111.142 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.594 ' HD2' ' HB1' ' A' ' 24' ' ' ALA . 53.9 Cg_endo -69.72 83.72 0.68 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.716 2.277 . . . . 0.0 112.341 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.633 ' ND2' HG22 ' A' ' 31' ' ' VAL . 1.6 m120 -120.58 135.74 55.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.896 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.43 HD13 ' HB2' ' A' ' 61' ' ' TYR . 13.6 tp -103.52 117.36 34.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.928 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.796 ' HB3' HD13 ' A' ' 39' ' ' LEU . . . 53.84 35.81 22.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.102 179.803 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 82.14 12.9 80.18 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.517 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.46 ' HB1' ' HB3' ' A' ' 35' ' ' ASP . . . -108.44 113.61 26.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.801 0.334 . . . . 0.0 111.062 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.633 HG22 ' ND2' ' A' ' 26' ' ' ASN . 20.3 t -92.34 -40.44 12.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.199 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.469 ' O ' HG23 ' A' ' 36' ' ' VAL . 5.4 mm-40 -70.02 134.7 48.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.893 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 29.7 t80 -52.43 -53.07 50.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.882 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 74.9 p -50.31 -32.5 17.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.46 ' HB3' ' HB1' ' A' ' 30' ' ' ALA . 2.6 t0 -80.27 -35.39 36.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.833 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.469 HG23 ' O ' ' A' ' 32' ' ' GLU . 88.5 t -64.81 -57.36 11.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.111 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.711 ' HA ' HD12 ' A' ' 40' ' ' LEU . 7.5 pttt -53.28 -30.41 38.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.913 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 88.2 m -62.66 -39.6 94.44 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.134 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.796 HD13 ' HB3' ' A' ' 28' ' ' ALA . 12.7 mt -68.45 -38.77 81.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.907 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.711 HD12 ' HA ' ' A' ' 37' ' ' LYS . 8.6 mt -68.15 -46.47 70.7 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.923 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.679 ' HA ' HD13 ' A' ' 84' ' ' LEU . 15.5 ttpt -53.16 -45.14 68.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.893 179.855 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.794 ' O ' HG22 ' A' ' 46' ' ' THR . 15.4 pt-20 -77.31 -39.78 46.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.953 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.503 ' HD1' HD13 ' A' ' 47' ' ' ILE . 35.1 t90 -63.92 -14.13 51.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.893 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.459 HG22 ' O ' ' A' ' 44' ' ' ILE . 34.5 mt -104.14 -13.34 8.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.086 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.618 HG23 ' O ' ' A' ' 41' ' ' LYS . 80.5 p -103.04 -55.45 2.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.121 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.794 HG22 ' O ' ' A' ' 42' ' ' GLU . 12.7 t -69.79 -19.03 63.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.196 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.503 HD13 ' HD1' ' A' ' 43' ' ' TRP . 3.5 mt -127.11 125.93 67.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.149 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.2 p -107.19 -24.24 11.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.82 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -118.91 82.0 20.32 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.568 0.699 . . . . 0.0 110.853 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.86 154.24 67.55 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.634 2.223 . . . . 0.0 112.298 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 15.8 ttp -92.45 155.05 18.11 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.897 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -51.53 -39.68 58.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.912 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 29.5 mm-40 -68.69 -44.36 74.14 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.93 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -55.54 -51.24 67.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.879 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 56.5 mt -63.13 -30.93 50.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.09 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 5.2 mt -67.23 -37.22 83.22 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.908 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 43.2 mm-40 -54.04 -33.68 57.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 10.7 t -70.43 -34.6 58.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.153 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.486 HG22 ' HA ' ' A' ' 100' ' ' ILE . 93.1 t -63.76 -47.87 89.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.103 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -62.01 -30.33 70.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.866 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.463 ' OH ' HG21 ' A' ' 36' ' ' VAL . 67.3 t80 -72.28 -50.34 27.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.913 -179.828 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 46.4 m -67.56 -46.75 71.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.895 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.775 HG22 HG11 ' A' ' 107' ' ' VAL . 36.4 p -54.44 -28.36 43.66 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.119 -179.837 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 48.5 m-20 -73.71 -37.62 65.1 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.815 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.836 HD23 ' HB2' ' A' ' 74' ' ' LEU . 1.0 OUTLIER -54.15 -30.91 50.93 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 -179.96 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.615 HD13 HG13 ' A' ' 107' ' ' VAL . 5.3 mt -67.14 -49.41 73.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.117 179.845 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -73.21 -26.73 61.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.869 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -88.45 -10.88 47.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.4 mmmt 64.02 43.38 5.21 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.884 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 58.4 m-20 -115.12 35.61 4.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.826 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 22.3 mt -57.37 -18.2 16.35 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.874 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -49.96 -54.58 18.95 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.665 ' HA ' HD12 ' A' ' 76' ' ' LEU . 0.0 OUTLIER -78.79 -22.74 45.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.905 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.836 ' HB2' HD23 ' A' ' 65' ' ' LEU . 37.5 tp -54.09 -58.37 7.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.887 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -57.84 -26.84 62.59 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.838 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.665 HD12 ' HA ' ' A' ' 73' ' ' LYS . 61.4 mt -76.48 -42.8 42.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.482 HG13 ' CD1' ' A' ' 40' ' ' LEU . 93.7 t -70.74 -43.15 77.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.131 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.841 HG21 HD22 ' A' ' 116' ' ' LEU . 30.9 mm -56.4 -57.66 8.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.119 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.97 -36.28 82.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.955 179.828 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.575 ' CE1' HD11 ' A' ' 84' ' ' LEU . 56.2 t80 -62.59 -50.91 69.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.904 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.476 ' HE1' HD13 ' A' ' 78' ' ' ILE . 8.9 ptp -67.69 -26.67 66.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.924 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.6 -58.58 6.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 3.6 ptm180 -52.12 -28.35 17.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.907 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.679 HD13 ' HA ' ' A' ' 41' ' ' LYS . 46.3 mt -81.55 -54.49 5.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 22.1 mtt -58.62 -30.08 66.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.879 179.792 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 21.0 mm-40 -78.94 -53.92 6.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.949 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -66.02 -15.51 63.09 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.93 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -53.46 172.68 0.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 -179.758 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 3.2 p -96.36 -32.82 4.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.191 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.767 ' HB3' HG12 ' A' ' 92' ' ' VAL . 16.3 mm-40 -85.89 112.84 21.53 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.85 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.1 t -57.51 -25.33 59.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.795 -179.767 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.767 HG12 ' HB3' ' A' ' 90' ' ' GLU . 9.3 p -54.24 -27.07 16.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.155 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 13.1 m95 -64.37 -37.74 88.57 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.932 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 6.3 m-80 -55.74 -39.2 70.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.881 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 21.9 mtm -72.48 -38.85 68.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -53.33 -43.47 67.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.013 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.653 ' CZ ' HD11 ' A' ' 101' ' ' LEU . 38.1 t80 -56.63 -49.56 74.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.945 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -63.19 -36.21 82.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.849 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 24.1 t80 -59.95 -46.13 90.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.865 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.486 ' HA ' HG22 ' A' ' 59' ' ' VAL . 19.0 mt -67.45 -38.37 80.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.143 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.653 HD11 ' CZ ' ' A' ' 97' ' ' PHE . 21.8 mt -69.87 -34.31 73.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.961 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -59.86 -26.79 66.13 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 179.8 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 39.1 m-80 -97.68 -40.6 8.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.88 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.42 HG23 ' O ' ' A' ' 100' ' ' ILE . 77.8 t -71.61 -58.88 4.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.115 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.817 ' HA ' HD23 ' A' ' 108' ' ' LEU . 13.8 mm-40 -49.0 -29.39 4.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.944 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 6.1 t -71.23 -56.45 10.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.171 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.775 HG11 HG22 ' A' ' 63' ' ' THR . 5.8 p -64.79 -25.78 38.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.167 179.818 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.856 HD21 ' HA ' ' A' ' 115' ' ' THR . 0.1 OUTLIER -74.41 -38.61 63.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.929 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -67.27 -40.89 86.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.93 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 51.2 mt-30 -63.92 -14.97 57.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.929 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 57.1 m -95.93 -60.92 1.54 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.072 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . 0.431 ' CE2' HG23 ' A' ' 66' ' ' ILE . 10.2 m-85 -101.89 -42.74 6.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.917 -179.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 111.59 -14.53 27.3 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.56 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.571 ' O ' HD11 ' A' ' 108' ' ' LEU . 1.1 t -94.0 -176.09 3.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.938 0.399 . . . . 0.0 110.867 -179.752 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . 0.856 ' HA ' HD21 ' A' ' 108' ' ' LEU . 71.8 p -152.34 -177.85 6.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.169 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.841 HD22 HG21 ' A' ' 78' ' ' ILE . 0.1 OUTLIER -97.71 144.54 27.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.08 97.61 10.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.953 179.793 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.42 HG23 ' O ' ' A' ' 118' ' ' VAL . 6.1 m -117.2 107.77 23.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.169 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 14.5 t . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.14 -179.963 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 207' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.842 0.353 . . . . 0.0 110.937 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 208' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -84.39 121.94 28.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.853 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 209' ' ' PHE . . . . . 0.408 ' CD1' HD11 ' A' ' 47' ' ' ILE . 41.0 t80 -51.95 -45.48 64.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.856 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 210' ' ' PHE . . . . . . . . . . . . . 64.7 m-85 -59.75 -27.36 66.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.847 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 211' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -73.18 -44.37 59.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.899 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 212' ' ' LYS . . . . . . . . . . . . . 5.4 pttt -78.0 -18.24 56.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.866 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 213' ' ' LYS . . . . . 0.688 ' CE ' HD22 ' A' ' 39' ' ' LEU . 0.0 OUTLIER -90.64 -41.49 11.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.858 179.911 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 214' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -62.4 -24.69 67.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.855 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 215' ' ' SER . . . . . 0.429 ' HA ' HD12 ' B' ' 218' ' ' ILE . 1.0 OUTLIER -79.26 -55.64 4.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.816 -179.75 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 216' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -53.52 -46.18 70.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.936 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 217' ' ' ARG . . . . . . . . . . . . . 4.7 ptm180 -51.72 -29.99 20.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.819 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 218' ' ' ILE . . . . . 0.429 HD12 ' HA ' ' B' ' 215' ' ' SER . 44.9 mt -77.43 -35.33 21.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.106 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 219' ' ' SER . . . . . . . . . . . . . 93.6 p -93.79 50.18 1.42 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.864 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 220' ' ' ASN . . . . . . . . . . . . . 10.7 p-10 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.895 -179.967 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.866 0.365 . . . . 0.0 111.125 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.583 ' HB1' ' HD2' ' A' ' 25' ' ' PRO . . . -103.9 160.14 27.06 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.563 0.697 . . . . 0.0 111.106 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.583 ' HD2' ' HB1' ' A' ' 24' ' ' ALA . 54.1 Cg_endo -69.75 94.5 0.53 Allowed 'Trans proline' 0 C--N 1.34 0.118 0 C-N-CA 122.74 2.293 . . . . 0.0 112.339 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.409 ' ND2' HG22 ' A' ' 31' ' ' VAL . 1.6 m120 -124.77 142.16 51.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.9 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.422 HD21 HD21 ' A' ' 40' ' ' LEU . 1.6 tp -102.18 113.39 26.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.915 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 55.87 26.73 10.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.148 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 95.03 13.04 54.37 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.54 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.544 ' HB2' HD11 ' A' ' 39' ' ' LEU . . . -104.92 118.58 36.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.823 0.344 . . . . 0.0 111.12 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.409 HG22 ' ND2' ' A' ' 26' ' ' ASN . 21.7 t -94.17 -44.27 13.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.077 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.655 ' O ' HG23 ' A' ' 36' ' ' VAL . 16.4 mm-40 -66.47 139.88 57.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.893 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 44.4 t80 -57.72 -50.35 73.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.913 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -51.84 -37.53 52.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.792 -179.822 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -74.24 -29.43 61.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.911 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.655 HG23 ' O ' ' A' ' 32' ' ' GLU . 94.3 t -71.68 -56.84 8.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.108 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.516 ' HA ' HD12 ' A' ' 40' ' ' LEU . 6.2 pttt -56.95 -31.49 65.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 54.8 m -67.09 -40.29 86.94 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.175 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.544 HD11 ' HB2' ' A' ' 30' ' ' ALA . 14.5 mt -69.38 -34.62 74.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.516 HD12 ' HA ' ' A' ' 37' ' ' LYS . 15.0 mt -72.19 -47.31 51.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.986 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.722 ' HA ' HD13 ' A' ' 84' ' ' LEU . 13.1 ttpt -52.66 -42.4 64.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 179.798 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.768 ' O ' HG22 ' A' ' 46' ' ' THR . 12.4 pt-20 -77.5 -41.94 37.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.879 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.481 ' HD1' HD13 ' A' ' 47' ' ' ILE . 39.1 t90 -63.37 -15.6 57.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.876 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.454 HG22 ' O ' ' A' ' 44' ' ' ILE . 37.6 mt -101.47 -13.24 8.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.155 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.585 HG23 ' O ' ' A' ' 41' ' ' LYS . 74.0 p -104.06 -55.76 2.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.144 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.768 HG22 ' O ' ' A' ' 42' ' ' GLU . 13.4 t -66.01 -16.94 64.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.092 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.542 HD11 ' CD1' ' B' ' 209' ' ' PHE . 3.3 mt -127.97 127.55 68.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.135 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 37.5 m -106.95 -24.46 12.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.836 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -116.03 81.15 9.78 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.562 0.696 . . . . 0.0 110.864 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 147.27 62.7 Favored 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.747 2.298 . . . . 0.0 112.328 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 10.2 ttp -91.93 155.12 18.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.86 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -52.47 -39.7 61.44 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.898 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -66.36 -45.0 81.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.894 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -57.28 -49.1 77.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.888 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 50.1 mt -66.2 -30.79 51.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.078 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' A' ' 56' ' ' LEU . 8.9 mt -63.51 -40.73 97.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.851 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 7.5 mm-40 -54.3 -32.64 56.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.917 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 15.3 t -70.85 -34.88 57.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.076 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.619 HG22 ' HA ' ' A' ' 100' ' ' ILE . 95.4 t -65.39 -51.59 62.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.141 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 16.7 mmt180 -60.89 -25.25 66.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.819 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 67.5 t80 -75.62 -51.86 11.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 -179.769 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 62.2 m -68.62 -45.71 71.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.913 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.56 HG22 ' HA ' ' A' ' 104' ' ' VAL . 52.9 p -56.28 -25.55 48.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.177 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 46.6 m-20 -73.53 -37.64 65.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.862 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.605 HD23 ' HB2' ' A' ' 74' ' ' LEU . 1.6 mp -54.63 -32.98 59.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.892 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.643 HD13 HG13 ' A' ' 107' ' ' VAL . 3.0 mt -64.58 -43.66 96.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.108 179.874 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -74.23 -35.5 63.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.901 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 59.1 mm-40 -83.03 -8.77 59.51 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.926 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 27.0 mmtt 64.91 39.71 5.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.887 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -111.02 36.86 3.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.923 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 24.7 mt -53.82 -23.22 11.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.919 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -50.36 -48.84 55.55 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.871 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.737 ' HA ' HD12 ' A' ' 76' ' ' LEU . 1.9 mtpp -78.75 -22.59 46.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.907 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.605 ' HB2' HD23 ' A' ' 65' ' ' LEU . 24.3 tp -57.86 -57.46 12.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.864 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.549 ' HA ' HD21 ' A' ' 116' ' ' LEU . 2.9 t0 -57.33 -26.88 61.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.831 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.737 HD12 ' HA ' ' A' ' 73' ' ' LYS . 42.8 mt -76.96 -49.57 15.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.886 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.596 HG12 ' CE ' ' A' ' 81' ' ' MET . 91.3 t -67.73 -36.13 74.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.111 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.81 HG21 HD22 ' A' ' 116' ' ' LEU . 30.2 mm -69.15 -53.89 23.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.17 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.462 ' HA ' ' HG2' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -63.83 -25.37 68.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.873 179.809 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.686 ' CE1' HD11 ' A' ' 84' ' ' LEU . 37.2 t80 -80.93 -43.38 19.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.875 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.596 ' CE ' HG12 ' A' ' 77' ' ' VAL . 14.1 ptp -74.35 -32.35 62.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.866 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.462 ' HG2' ' HA ' ' A' ' 79' ' ' LYS . 0.0 OUTLIER -71.13 -31.93 68.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.91 179.955 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 2.4 ptm180 -71.11 -29.03 64.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.868 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.722 HD13 ' HA ' ' A' ' 41' ' ' LYS . 15.4 mt -82.44 -54.92 4.82 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.925 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 29.4 mtt -55.65 -29.93 60.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.861 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 58.5 mt-30 -77.26 -55.18 5.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.948 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -64.73 -15.49 61.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.917 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 24.6 p -51.91 161.69 0.54 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.851 -179.751 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 2.3 m -83.71 -25.97 7.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.146 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.41 ' HB3' HG22 ' A' ' 92' ' ' VAL . 3.6 mm-40 -94.21 125.31 38.77 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.93 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 36.5 p -67.94 -24.42 65.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.855 -179.762 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.41 HG22 ' HB3' ' A' ' 90' ' ' GLU . 34.2 m -57.47 -22.85 18.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.097 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 7.6 m95 -72.43 -34.4 67.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -57.77 -38.03 74.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.931 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 18.5 mtm -72.63 -38.75 67.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.898 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -53.18 -38.71 63.07 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.109 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.774 ' CZ ' HD11 ' A' ' 101' ' ' LEU . 25.9 t80 -64.56 -45.84 85.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.946 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 24.3 t0 -61.96 -36.53 81.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.942 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 33.1 t80 -56.38 -49.04 75.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.881 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.619 ' HA ' HG22 ' A' ' 59' ' ' VAL . 6.0 mt -62.7 -42.87 97.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.128 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.774 HD11 ' CZ ' ' A' ' 97' ' ' PHE . 35.5 mt -66.53 -31.49 72.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.977 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -60.92 -31.34 70.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.943 179.785 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 8.2 m-80 -98.09 -32.67 11.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.858 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.56 ' HA ' HG22 ' A' ' 63' ' ' THR . 83.8 t -77.11 -61.54 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.171 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.819 ' HA ' HD23 ' A' ' 108' ' ' LEU . 17.6 mm-40 -49.52 -29.94 7.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.886 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 3.8 t -71.22 -52.93 23.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.138 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.643 HG13 HD13 ' A' ' 66' ' ' ILE . 9.4 p -68.38 -26.02 32.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.091 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.869 HD21 ' HA ' ' A' ' 115' ' ' THR . 0.1 OUTLIER -73.65 -38.47 64.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . 0.406 ' N ' ' HG ' ' A' ' 108' ' ' LEU . 27.2 mt-30 -66.32 -41.1 90.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.944 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -64.31 -14.87 58.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.949 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 68.8 m -95.61 -59.52 1.85 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.183 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . 0.421 ' CE1' HG23 ' A' ' 66' ' ' ILE . 11.7 m-85 -104.08 -42.86 5.42 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.909 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 111.5 -14.52 27.55 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.521 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.589 ' O ' HD11 ' A' ' 108' ' ' LEU . 74.8 p -94.37 -174.22 3.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.911 0.386 . . . . 0.0 110.84 -179.664 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . 0.869 ' HA ' HD21 ' A' ' 108' ' ' LEU . 66.5 p -152.7 -178.0 6.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.075 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.81 HD22 HG21 ' A' ' 78' ' ' ILE . 0.1 OUTLIER -95.91 153.19 17.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.951 179.934 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.43 100.68 10.25 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.422 HG11 ' HZ ' ' A' ' 97' ' ' PHE . 4.2 m -118.59 95.5 3.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.128 179.807 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.114 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 207' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.833 0.349 . . . . 0.0 110.837 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 208' ' ' SER . . . . . . . . . . . . . 1.1 t -80.24 113.63 18.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.85 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 209' ' ' PHE . . . . . 0.542 ' CD1' HD11 ' A' ' 47' ' ' ILE . 76.0 t80 -53.0 -37.7 61.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.85 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 210' ' ' PHE . . . . . . . . . . . . . 31.8 m-85 -67.54 -29.19 68.52 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.827 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 211' ' ' ASP . . . . . . . . . . . . . 29.7 m-20 -75.73 -43.5 46.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.879 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 212' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -77.47 -20.01 55.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.847 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 213' ' ' LYS . . . . . . . . . . . . . 11.5 tptt -86.38 -46.41 10.28 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.869 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 214' ' ' ARG . . . . . . . . . . . . . 26.1 ptt85 -55.59 -27.63 50.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 215' ' ' SER . . . . . . . . . . . . . 12.8 t -76.65 -26.39 54.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 216' ' ' GLU . . . . . . . . . . . . . 51.0 mm-40 -65.94 -56.88 9.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.922 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 217' ' ' ARG . . . . . 0.512 HH22 HD21 ' A' ' 39' ' ' LEU . 3.7 ptp85 -54.06 -36.64 63.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.897 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 218' ' ' ILE . . . . . . . . . . . . . 54.9 mt -70.28 -25.15 26.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.178 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 219' ' ' SER . . . . . . . . . . . . . 5.1 p -109.81 -175.92 2.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.834 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 220' ' ' ASN . . . . . . . . . . . . . 52.5 t30 . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.894 -179.975 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.825 0.345 . . . . 0.0 111.131 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.569 ' HB1' ' HD2' ' A' ' 25' ' ' PRO . . . -106.03 160.32 26.56 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.57 0.7 . . . . 0.0 111.073 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.569 ' HD2' ' HB1' ' A' ' 24' ' ' ALA . 53.5 Cg_endo -69.77 93.87 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.701 2.267 . . . . 0.0 112.363 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.591 ' ND2' HG22 ' A' ' 31' ' ' VAL . 1.7 m120 -124.51 135.08 52.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.875 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.455 HD21 HD21 ' A' ' 40' ' ' LEU . 19.0 tp -105.39 108.9 20.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.93 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 58.82 28.7 17.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.12 179.79 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 95.13 4.66 61.17 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.472 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.49 ' HB2' HD11 ' A' ' 39' ' ' LEU . . . -100.68 115.91 31.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.794 0.33 . . . . 0.0 111.123 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.591 HG22 ' ND2' ' A' ' 26' ' ' ASN . 21.8 t -93.39 -38.04 9.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.14 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.621 ' O ' HG23 ' A' ' 36' ' ' VAL . 67.7 mt-10 -71.76 141.35 49.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.892 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 35.3 t80 -56.12 -51.45 67.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.897 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 10.9 p -51.61 -37.4 49.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.843 -179.783 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 81.5 m-20 -74.01 -29.58 62.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.797 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.621 HG23 ' O ' ' A' ' 32' ' ' GLU . 97.8 t -72.15 -56.24 10.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.165 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.771 ' HA ' HD12 ' A' ' 40' ' ' LEU . 2.7 ptmt -57.16 -34.16 68.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.879 179.859 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 53.1 m -65.53 -37.7 87.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.169 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.49 HD11 ' HB2' ' A' ' 30' ' ' ALA . 30.8 mt -70.52 -35.66 73.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.924 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.771 HD12 ' HA ' ' A' ' 37' ' ' LYS . 5.4 mt -71.91 -46.96 55.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.656 ' HA ' HD13 ' A' ' 84' ' ' LEU . 6.3 ttpt -52.94 -42.8 65.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.952 179.85 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.787 ' O ' HG22 ' A' ' 46' ' ' THR . 25.2 pt-20 -76.86 -42.31 40.53 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.942 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.503 ' HD1' HD13 ' A' ' 47' ' ' ILE . 34.9 t90 -63.53 -14.85 55.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.919 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.435 HG22 ' O ' ' A' ' 44' ' ' ILE . 41.1 mt -102.24 -14.64 8.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.118 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.585 HG23 ' O ' ' A' ' 41' ' ' LYS . 76.5 p -102.48 -56.24 2.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.132 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.787 HG22 ' O ' ' A' ' 42' ' ' GLU . 12.8 t -65.6 -16.48 63.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.179 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.503 HD13 ' HD1' ' A' ' 43' ' ' TRP . 3.4 mt -128.18 130.31 69.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.102 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 9.0 m -106.61 -24.5 12.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.836 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -115.53 80.43 8.03 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.578 0.704 . . . . 0.0 110.899 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 139.93 41.45 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.678 2.252 . . . . 0.0 112.287 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 65.6 mtm -85.55 159.8 19.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.856 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -57.39 -59.92 4.42 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.902 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -51.84 -46.24 64.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.885 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -55.07 -38.81 68.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.855 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.596 ' O ' HG22 ' A' ' 58' ' ' VAL . 20.1 mt -72.79 -49.93 36.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.147 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.409 HD13 ' HA ' ' A' ' 56' ' ' LEU . 4.3 mm? -49.79 -28.29 6.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.94 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 22.1 mt-30 -55.91 -36.92 68.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.866 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.596 HG22 ' O ' ' A' ' 55' ' ' ILE . 2.1 m -73.27 -31.0 32.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.114 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.622 HG22 HG23 ' A' ' 100' ' ' ILE . 87.2 t -59.1 -52.1 64.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.172 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 23.2 mmm180 -58.34 -29.15 65.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.901 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.573 ' CE2' HG11 ' A' ' 36' ' ' VAL . 56.5 t80 -71.55 -54.82 9.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 -179.874 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 44.1 m -65.0 -47.3 78.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.882 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.605 HG22 ' HA ' ' A' ' 104' ' ' VAL . 49.4 p -57.23 -26.41 60.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.157 -179.874 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -73.34 -37.82 65.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.832 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.402 HD23 ' HB2' ' A' ' 74' ' ' LEU . 1.8 mp -54.34 -34.59 61.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.964 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.636 HD13 HG13 ' A' ' 107' ' ' VAL . 3.1 mt -62.53 -44.34 99.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.154 179.864 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 38.4 mm-40 -73.99 -35.11 64.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.93 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 60.3 mm-40 -82.87 -7.34 59.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.868 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 4.0 mmmm 63.95 38.5 8.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.909 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -111.29 37.19 2.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.873 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.541 HD11 ' CZ ' ' A' ' 112' ' ' TYR . 22.1 mt -53.96 -23.39 12.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.933 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -50.34 -46.18 55.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.936 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.771 ' HA ' HD12 ' A' ' 76' ' ' LEU . 14.0 mtpt -79.0 -22.86 44.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.921 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.402 ' HB2' HD23 ' A' ' 65' ' ' LEU . 23.4 tp -57.36 -61.91 2.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.411 ' HA ' HD21 ' A' ' 116' ' ' LEU . 0.7 OUTLIER -54.21 -26.76 30.19 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.874 179.794 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.771 HD12 ' HA ' ' A' ' 73' ' ' LYS . 53.7 mt -76.66 -45.95 27.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.983 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.475 HG23 ' O ' ' A' ' 73' ' ' LYS . 86.5 t -69.8 -38.98 77.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.071 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.711 HG21 HD22 ' A' ' 116' ' ' LEU . 34.8 mm -63.92 -57.47 11.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.187 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.68 -32.26 71.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.882 179.805 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.661 ' CE1' HD11 ' A' ' 84' ' ' LEU . 57.5 t80 -68.43 -53.46 23.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.949 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.602 ' HA ' HD12 ' A' ' 84' ' ' LEU . 11.4 ptp -65.77 -27.38 68.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 179.847 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.76 -57.61 11.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.88 -27.18 28.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.856 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.661 HD11 ' CE1' ' A' ' 80' ' ' TYR . 26.7 mt -80.99 -54.72 5.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.982 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 27.7 mtt -60.83 -29.13 69.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.842 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 21.3 mm-40 -78.22 -50.67 11.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.871 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -67.47 -15.12 63.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.904 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 37.3 p -51.94 152.65 2.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.826 -179.755 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 2.6 m -76.71 -26.02 16.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.123 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 32.3 mm-40 -98.94 131.68 44.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 2.2 t -71.77 -18.92 62.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.875 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 13.7 p -56.4 -24.4 18.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.133 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 46.8 m95 -71.94 -34.28 68.91 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.901 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -59.62 -37.09 77.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.858 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 15.1 mtm -72.33 -39.84 67.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.861 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -53.84 -44.29 70.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.076 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.648 ' CZ ' HD11 ' A' ' 101' ' ' LEU . 45.2 t80 -55.25 -55.06 35.69 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 19.5 t0 -57.3 -41.33 79.64 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.856 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 52.3 t80 -54.61 -47.97 72.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.895 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.622 HG23 HG22 ' A' ' 59' ' ' VAL . 11.2 mt -62.81 -46.13 97.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.158 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.648 HD11 ' CZ ' ' A' ' 97' ' ' PHE . 34.8 mt -62.22 -27.57 69.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.879 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.28 -30.39 71.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.851 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -97.41 -33.03 11.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.852 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.605 ' HA ' HG22 ' A' ' 63' ' ' THR . 79.1 t -77.03 -60.55 2.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.154 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.833 ' HA ' HD23 ' A' ' 108' ' ' LEU . 17.0 mm-40 -49.55 -29.9 7.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.907 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 4.6 t -71.01 -54.43 17.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.182 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.636 HG13 HD13 ' A' ' 66' ' ' ILE . 7.4 p -66.91 -25.91 35.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.173 179.875 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.845 HD21 ' HA ' ' A' ' 115' ' ' THR . 0.1 OUTLIER -73.9 -39.07 64.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.968 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . 0.406 ' N ' ' HG ' ' A' ' 108' ' ' LEU . 16.5 mt-30 -66.09 -41.31 90.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.909 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -63.9 -15.11 58.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.93 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 59.8 m -95.53 -60.67 1.61 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.165 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . 0.541 ' CZ ' HD11 ' A' ' 71' ' ' LEU . 8.8 m-85 -102.35 -42.86 5.86 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 111.59 -14.61 27.29 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.528 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.589 ' O ' HD11 ' A' ' 108' ' ' LEU . 49.3 m -94.79 -173.73 3.08 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.883 0.373 . . . . 0.0 110.879 -179.704 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . 0.845 ' HA ' HD21 ' A' ' 108' ' ' LEU . 67.3 p -152.6 176.55 11.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.127 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.711 HD22 HG21 ' A' ' 78' ' ' ILE . 0.1 OUTLIER -89.6 149.53 22.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.901 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.64 95.92 10.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.861 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.419 HG11 ' HZ ' ' A' ' 97' ' ' PHE . 4.1 m -119.01 93.14 2.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.143 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.177 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 207' ' ' LYS . . . . . . . . . . . . . 1.1 tmmm? . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.775 0.321 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 208' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -176.24 137.4 0.3 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.787 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 209' ' ' PHE . . . . . 0.436 ' CD1' HD11 ' A' ' 47' ' ' ILE . 74.8 t80 -54.99 -45.04 75.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.873 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 210' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -63.24 -28.61 70.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.857 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 211' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -71.64 -46.95 57.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.851 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 212' ' ' LYS . . . . . . . . . . . . . 10.4 ptmm? -71.58 -23.77 61.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.929 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 213' ' ' LYS . . . . . . . . . . . . . 4.9 tppt? -82.47 -45.21 15.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.918 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 214' ' ' ARG . . . . . . . . . . . . . 4.7 ptm180 -64.67 -30.76 71.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.826 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 215' ' ' SER . . . . . . . . . . . . . 22.2 t -70.26 -25.68 63.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.808 -179.722 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 216' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -56.49 -57.3 12.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.906 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 217' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.93 -39.84 83.41 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.864 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 218' ' ' ILE . . . . . . . . . . . . . 59.3 mt -63.59 -23.72 34.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.13 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 219' ' ' SER . . . . . . . . . . . . . 40.9 t -92.59 139.15 30.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.889 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 220' ' ' ASN . . . . . . . . . . . . . 39.4 m-80 . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.885 -179.986 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.091 0 CA-C-O 120.821 0.344 . . . . 0.0 111.065 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.57 ' HB1' ' HD2' ' A' ' 25' ' ' PRO . . . -120.37 159.83 46.17 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.63 0.729 . . . . 0.0 111.072 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.57 ' HD2' ' HB1' ' A' ' 24' ' ' ALA . 53.8 Cg_endo -69.73 96.11 0.58 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.67 2.247 . . . . 0.0 112.378 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.46 ' ND2' HG22 ' A' ' 31' ' ' VAL . 1.8 m120 -125.17 143.44 50.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.893 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.544 HD21 HD21 ' A' ' 40' ' ' LEU . 12.7 tp -104.33 111.95 24.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.925 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 54.76 28.52 10.34 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.061 179.754 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 95.12 12.99 54.22 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.758 -0.735 . . . . 0.0 112.563 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.59 ' HB2' HD11 ' A' ' 39' ' ' LEU . . . -105.86 115.76 30.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.843 0.354 . . . . 0.0 111.05 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.46 HG22 ' ND2' ' A' ' 26' ' ' ASN . 30.2 t -91.88 -45.71 14.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.145 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.736 ' O ' HG23 ' A' ' 36' ' ' VAL . 5.4 mm-40 -68.44 146.03 53.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.936 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 37.3 t80 -59.5 -50.56 73.45 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.86 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 4.9 m -51.69 -37.81 52.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.836 -179.77 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 30.4 m-20 -72.64 -29.71 63.68 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.877 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.736 HG23 ' O ' ' A' ' 32' ' ' GLU . 46.7 t -71.97 -57.1 8.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.16 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.573 ' HA ' HD12 ' A' ' 40' ' ' LEU . 4.0 ptmt -56.16 -33.69 65.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.939 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 54.1 m -63.84 -40.94 97.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.152 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.59 HD11 ' HB2' ' A' ' 30' ' ' ALA . 14.3 mt -70.45 -34.0 71.95 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.956 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.573 HD12 ' HA ' ' A' ' 37' ' ' LYS . 15.4 mt -72.18 -46.84 54.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.896 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.715 ' HA ' HD13 ' A' ' 84' ' ' LEU . 8.6 ttpt -52.68 -42.69 64.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.971 179.751 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.779 ' O ' HG22 ' A' ' 46' ' ' THR . 12.3 pt-20 -77.39 -41.63 39.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.884 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.494 ' HD1' HD13 ' A' ' 47' ' ' ILE . 36.9 t90 -63.45 -15.37 57.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.934 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.445 HG22 ' O ' ' A' ' 44' ' ' ILE . 35.9 mt -101.87 -13.97 8.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.183 179.847 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.591 HG23 ' O ' ' A' ' 41' ' ' LYS . 70.3 p -103.15 -56.1 2.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.185 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.779 HG22 ' O ' ' A' ' 42' ' ' GLU . 13.2 t -65.1 -16.17 63.19 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.122 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.602 HD11 ' CD1' ' B' ' 209' ' ' PHE . 3.2 mt -127.42 130.69 70.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.093 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -107.2 -29.86 9.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.866 -179.881 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -112.69 81.36 4.26 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.617 0.722 . . . . 0.0 110.889 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 134.88 28.99 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.74 2.293 . . . . 0.0 112.335 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 20.0 mtp -82.07 150.64 27.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.844 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -52.35 -34.7 48.67 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -66.59 -50.06 64.3 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.874 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -58.01 -46.62 84.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.88 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 57.5 mt -63.87 -31.98 55.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.08 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.0 mt -63.08 -38.56 91.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.907 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 5.3 mm100 -54.02 -31.61 51.72 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.949 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 12.9 t -71.88 -35.26 54.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.121 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.55 HG22 ' HA ' ' A' ' 100' ' ' ILE . 88.2 t -65.58 -52.55 49.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.165 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 21.2 mmt85 -59.08 -25.63 63.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.904 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.466 ' OH ' HG21 ' A' ' 36' ' ' VAL . 75.0 t80 -75.45 -52.15 11.37 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.909 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 63.6 m -67.06 -45.99 75.69 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.824 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.738 HG22 HG11 ' A' ' 107' ' ' VAL . 35.3 p -53.3 -28.25 27.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.158 -179.827 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 35.4 m-20 -73.85 -38.24 64.54 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.884 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.804 HD23 ' HB2' ' A' ' 74' ' ' LEU . 1.0 OUTLIER -54.21 -31.82 54.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 -179.933 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.609 HD13 HG13 ' A' ' 107' ' ' VAL . 5.8 mt -66.32 -47.85 82.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.128 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -73.2 -29.27 62.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.893 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 37.7 mm-40 -86.88 -10.47 53.31 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.856 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 5.8 mmtm 64.31 42.7 5.15 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.852 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -114.57 36.41 3.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.919 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.475 HD11 ' CE2' ' A' ' 112' ' ' TYR . 22.5 mt -57.15 -18.41 15.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.925 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 47.1 tt0 -49.9 -54.32 20.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.915 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.792 ' HE2' HD11 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -78.83 -22.14 46.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.907 179.915 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.804 ' HB2' HD23 ' A' ' 65' ' ' LEU . 35.0 tp -55.19 -59.02 5.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.882 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.781 ' HA ' HD21 ' A' ' 116' ' ' LEU . 0.5 OUTLIER -55.44 -28.3 53.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.885 179.829 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.624 HD12 ' HA ' ' A' ' 73' ' ' LYS . 40.5 mt -76.4 -44.77 34.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.904 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.574 HG12 ' HE2' ' A' ' 81' ' ' MET . 86.9 t -70.19 -33.93 56.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.064 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.688 HG21 HD22 ' A' ' 116' ' ' LEU . 31.2 mm -69.82 -54.54 18.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.113 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.466 ' HA ' ' HG2' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -63.89 -25.0 67.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.86 179.866 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.659 ' CE1' HD11 ' A' ' 84' ' ' LEU . 37.3 t80 -80.72 -43.52 20.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.911 -179.877 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.574 ' HE2' HG12 ' A' ' 77' ' ' VAL . 13.4 ptp -74.67 -31.74 62.02 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.869 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.466 ' HG2' ' HA ' ' A' ' 79' ' ' LYS . 0.0 OUTLIER -71.47 -32.06 67.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.903 179.935 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 2.4 ptm180 -71.19 -29.73 65.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.822 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.715 HD13 ' HA ' ' A' ' 41' ' ' LYS . 18.5 mt -82.31 -51.59 7.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 34.9 mtt -59.1 -27.29 65.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.856 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 51.7 mt-30 -78.5 -48.31 15.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.943 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -73.53 -13.54 61.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.966 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 6.9 m -51.9 152.65 2.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.838 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.571 HG13 ' CD ' ' A' ' 90' ' ' GLU . 3.3 p -71.16 -32.78 48.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.104 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.571 ' CD ' HG13 ' A' ' 89' ' ' VAL . 45.1 mp0 -86.14 130.99 34.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.918 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 32.4 t -71.64 -27.7 63.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.874 -179.79 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.505 HG22 ' HB3' ' A' ' 90' ' ' GLU . 25.5 m -56.52 -29.48 29.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.124 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 11.6 m95 -59.88 -33.8 72.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.938 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 12.8 m-80 -58.56 -39.17 79.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.922 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 28.8 mtm -72.5 -36.89 68.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.875 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -53.09 -43.93 67.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.082 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.783 ' CZ ' HD11 ' A' ' 101' ' ' LEU . 23.0 t80 -60.34 -42.3 95.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.865 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -67.59 -34.6 77.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.888 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 31.7 t80 -58.27 -42.75 87.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.809 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.55 ' HA ' HG22 ' A' ' 59' ' ' VAL . 6.2 mt -70.83 -39.75 75.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.15 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.783 HD11 ' CZ ' ' A' ' 97' ' ' PHE . 22.9 mt -67.37 -35.69 79.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.841 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -60.03 -27.35 66.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.848 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 7.1 m-80 -98.33 -38.63 9.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' ' 100' ' ' ILE . 84.3 t -73.8 -59.51 3.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.134 179.878 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.826 ' HA ' HD23 ' A' ' 108' ' ' LEU . 13.6 mm-40 -48.92 -29.07 4.31 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.925 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 4.1 t -70.38 -56.99 9.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.179 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.738 HG11 HG22 ' A' ' 63' ' ' THR . 5.0 p -64.64 -25.58 38.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.125 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.882 HD21 ' HA ' ' A' ' 115' ' ' THR . 0.1 OUTLIER -74.05 -39.17 63.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.876 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . 0.406 ' N ' ' HG ' ' A' ' 108' ' ' LEU . 21.6 mt-30 -66.03 -41.32 91.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.955 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 43.9 mt-30 -63.66 -15.4 58.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.931 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 64.6 m -95.73 -59.76 1.79 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.19 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . 0.475 ' CE2' HD11 ' A' ' 71' ' ' LEU . 9.4 m-85 -103.34 -43.14 5.51 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.884 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 110.69 -14.42 29.62 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.522 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.583 ' O ' HD11 ' A' ' 108' ' ' LEU . 89.7 p -95.31 -172.85 2.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.952 0.406 . . . . 0.0 110.901 -179.81 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . 0.882 ' HA ' HD21 ' A' ' 108' ' ' LEU . 72.4 p -152.29 -178.1 6.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.182 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.781 HD21 ' HA ' ' A' ' 75' ' ' ASP . 0.1 OUTLIER -93.12 155.56 17.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.941 179.946 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.87 95.24 6.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.892 179.837 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.619 HG11 ' HZ ' ' A' ' 97' ' ' PHE . 3.7 m -118.61 92.13 2.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.069 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.14 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 207' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.818 0.342 . . . . 0.0 110.958 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 208' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -179.37 159.13 0.9 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.916 -179.831 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 209' ' ' PHE . . . . . 0.602 ' CD1' HD11 ' A' ' 47' ' ' ILE . 74.8 t80 -76.06 -38.8 56.66 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 210' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 -66.28 -25.89 67.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.931 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 211' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -72.56 -44.94 61.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.859 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 212' ' ' LYS . . . . . . . . . . . . . 8.0 ptpp? -71.55 -25.0 62.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 213' ' ' LYS . . . . . 0.454 ' HG2' HD22 ' A' ' 39' ' ' LEU . 15.2 tppt? -79.74 -50.37 10.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.924 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 214' ' ' ARG . . . . . . . . . . . . . 21.8 ptt180 -55.08 -26.55 38.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.89 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 215' ' ' SER . . . . . 0.486 ' HA ' HD12 ' B' ' 218' ' ' ILE . 37.5 m -57.86 -26.7 62.44 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.856 -179.794 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 216' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -62.69 -38.41 90.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.925 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 217' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -77.2 -28.04 53.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.84 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 218' ' ' ILE . . . . . 0.486 HD12 ' HA ' ' B' ' 215' ' ' SER . 60.1 mt -75.37 -57.04 7.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.078 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 219' ' ' SER . . . . . . . . . . . . . 29.2 p -118.06 109.17 16.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.889 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 220' ' ' ASN . . . . . . . . . . . . . 40.0 p30 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.93 -179.987 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.773 0.32 . . . . 0.0 111.117 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.586 ' HB1' ' HD2' ' A' ' 25' ' ' PRO . . . -98.4 160.34 28.38 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.639 0.733 . . . . 0.0 111.023 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.586 ' HD2' ' HB1' ' A' ' 24' ' ' ALA . 54.2 Cg_endo -69.74 98.59 0.69 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.776 2.317 . . . . 0.0 112.341 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -125.94 144.24 50.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.869 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.491 HD21 HD21 ' A' ' 40' ' ' LEU . 15.4 tp -106.23 114.53 28.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.925 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 56.68 27.4 12.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.088 179.8 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 92.91 13.03 57.16 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.509 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.415 ' HB2' HD11 ' A' ' 39' ' ' LEU . . . -104.93 119.71 39.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.826 0.346 . . . . 0.0 111.058 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 28.1 t -93.57 -41.75 12.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.092 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.668 ' O ' HG23 ' A' ' 36' ' ' VAL . 55.7 mm-40 -69.58 145.64 52.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.879 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 42.8 t80 -61.15 -50.67 72.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.866 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.7 m -51.79 -37.51 51.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.831 -179.741 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -72.59 -29.45 63.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.668 HG23 ' O ' ' A' ' 32' ' ' GLU . 96.7 t -72.54 -57.2 7.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.087 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.558 ' HA ' HD12 ' A' ' 40' ' ' LEU . 3.9 ptmt -56.12 -35.34 66.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.882 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 55.4 m -62.94 -38.99 93.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.091 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.415 HD11 ' HB2' ' A' ' 30' ' ' ALA . 7.7 mt -70.45 -35.95 73.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.937 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.558 HD12 ' HA ' ' A' ' 37' ' ' LYS . 11.9 mt -71.99 -45.99 58.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.935 179.861 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.702 ' HA ' HD13 ' A' ' 84' ' ' LEU . 0.5 OUTLIER -52.65 -42.89 65.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.923 179.817 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.781 ' O ' HG22 ' A' ' 46' ' ' THR . 13.4 pt-20 -77.26 -41.96 38.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.904 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.501 ' HD1' HD13 ' A' ' 47' ' ' ILE . 35.3 t90 -63.06 -15.72 57.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.949 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.44 HG22 ' O ' ' A' ' 44' ' ' ILE . 39.2 mt -101.48 -14.21 8.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.091 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.585 HG23 ' O ' ' A' ' 41' ' ' LYS . 70.3 p -102.98 -55.91 2.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.176 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.781 HG22 ' O ' ' A' ' 42' ' ' GLU . 13.2 t -64.78 -16.91 63.68 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.13 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.597 HD11 ' CD1' ' B' ' 209' ' ' PHE . 3.2 mt -126.65 132.43 70.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.181 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 11.2 p -107.48 -32.92 7.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -110.86 81.59 2.65 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.614 0.721 . . . . 0.0 110.877 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.73 143.84 52.26 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.647 2.231 . . . . 0.0 112.339 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 63.8 mtm -92.01 156.19 17.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.87 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -52.09 -38.26 56.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.871 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 31.9 mm-40 -66.91 -45.8 76.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.869 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -57.53 -46.17 84.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.642 HG23 HD11 ' A' ' 100' ' ' ILE . 28.3 mt -72.39 -40.53 64.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.122 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.5 mt -54.78 -39.09 68.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 4.2 mm100 -54.05 -30.59 48.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.989 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 10.7 t -73.21 -35.04 46.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.151 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.537 HG22 ' HA ' ' A' ' 100' ' ' ILE . 92.4 t -62.04 -51.17 75.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.155 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 14.0 mmm180 -59.02 -26.79 64.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.861 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 61.5 t80 -75.5 -53.58 8.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.922 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . 0.428 ' HB2' HG21 ' A' ' 104' ' ' VAL . 55.5 m -65.22 -43.61 90.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.882 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.7 HG22 HG11 ' A' ' 107' ' ' VAL . 37.0 p -57.26 -28.32 62.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.137 -179.849 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 54.5 m-20 -74.14 -36.6 64.16 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.816 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.708 HD23 ' HB2' ' A' ' 74' ' ' LEU . 1.4 mp -54.0 -33.29 56.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.911 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.613 HD13 HG13 ' A' ' 107' ' ' VAL . 5.8 mt -64.68 -45.84 94.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.143 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 49.7 mm-40 -73.81 -34.29 64.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.89 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -82.63 -9.28 59.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.9 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 55.4 mmtt 64.02 41.5 6.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.909 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -112.95 35.52 3.88 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.875 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.443 HD11 ' CE1' ' A' ' 112' ' ' TYR . 37.8 mt -54.21 -23.05 13.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.91 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -50.26 -49.1 54.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.758 ' HA ' HD12 ' A' ' 76' ' ' LEU . 3.4 mtpt -78.73 -22.44 46.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.708 ' HB2' HD23 ' A' ' 65' ' ' LEU . 26.9 tp -58.71 -56.45 22.07 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.93 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.571 ' HA ' HD11 ' A' ' 116' ' ' LEU . 12.9 t0 -58.17 -28.38 64.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.798 179.869 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.758 HD12 ' HA ' ' A' ' 73' ' ' LYS . 26.8 mt -76.83 -43.74 35.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.948 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.595 HG12 ' CE ' ' A' ' 81' ' ' MET . 89.8 t -71.03 -39.3 74.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.121 179.86 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.516 HD13 ' CE ' ' A' ' 81' ' ' MET . 32.2 mm -66.12 -52.73 44.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.127 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.454 ' HA ' ' HG2' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -64.41 -25.49 68.04 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.911 179.827 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.668 ' CE1' HD11 ' A' ' 84' ' ' LEU . 42.4 t80 -80.99 -43.26 19.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.905 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.595 ' CE ' HG12 ' A' ' 77' ' ' VAL . 15.1 ptp -74.2 -32.84 63.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.899 179.859 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.454 ' HG2' ' HA ' ' A' ' 79' ' ' LYS . 0.0 OUTLIER -70.57 -32.12 69.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.915 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 2.2 ptm180 -71.08 -29.32 65.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.82 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.702 HD13 ' HA ' ' A' ' 41' ' ' LYS . 17.4 mt -82.48 -53.7 5.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.941 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 25.8 mtt -57.28 -27.93 62.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.815 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 60.8 mt-30 -78.72 -50.42 11.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.849 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -70.71 -10.57 59.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.957 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 5.2 m -54.96 175.83 0.05 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.505 HG13 ' CD ' ' A' ' 90' ' ' GLU . 2.9 p -98.5 -31.81 3.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.137 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.505 ' CD ' HG13 ' A' ' 89' ' ' VAL . 37.1 mp0 -85.33 131.07 34.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.874 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.6 p -70.46 -25.87 63.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.834 -179.768 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.499 HG12 ' HB3' ' A' ' 90' ' ' GLU . 10.0 p -58.11 -23.79 22.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.134 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 16.8 m95 -68.91 -35.14 76.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.976 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -57.77 -41.21 81.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.924 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 16.3 mtm -72.61 -36.5 68.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.889 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -53.19 -45.01 68.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.104 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.806 ' CZ ' HD11 ' A' ' 101' ' ' LEU . 22.9 t80 -59.95 -41.63 92.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.922 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -68.13 -34.56 76.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.85 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 33.6 t80 -58.47 -46.42 86.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.847 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.642 HD11 HG23 ' A' ' 55' ' ' ILE . 5.8 mt -67.08 -41.02 86.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.112 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.806 HD11 ' CZ ' ' A' ' 97' ' ' PHE . 20.3 mt -66.31 -36.6 83.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.896 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -59.28 -25.81 64.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -98.78 -41.24 7.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.871 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.428 HG21 ' HB2' ' A' ' 62' ' ' CYS . 82.3 t -72.49 -59.18 3.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.183 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.795 ' HA ' HD23 ' A' ' 108' ' ' LEU . 15.4 mm-40 -48.76 -29.0 4.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.951 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 4.2 t -71.34 -55.39 13.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.137 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.7 HG11 HG22 ' A' ' 63' ' ' THR . 5.2 p -66.42 -26.71 38.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.103 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.896 HD21 ' HA ' ' A' ' 115' ' ' THR . 0.1 OUTLIER -74.33 -39.0 63.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.88 179.943 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . 0.41 ' N ' ' HG ' ' A' ' 108' ' ' LEU . 27.4 mt-30 -67.32 -41.0 85.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.927 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -64.53 -14.47 57.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.904 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 76.7 m -95.56 -60.66 1.61 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.108 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . 0.499 ' CE1' HG23 ' A' ' 66' ' ' ILE . 10.7 m-85 -103.31 -42.5 5.71 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.9 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 111.54 -14.56 27.41 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.421 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.59 ' O ' HD11 ' A' ' 108' ' ' LEU . 1.1 t -93.06 -172.73 3.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.963 0.411 . . . . 0.0 110.902 -179.836 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . 0.896 ' HA ' HD21 ' A' ' 108' ' ' LEU . 71.9 p -152.86 -177.75 6.47 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.112 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.571 HD11 ' HA ' ' A' ' 75' ' ' ASP . 0.3 OUTLIER -85.43 155.43 21.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.928 179.919 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.93 100.19 9.97 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.924 179.841 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.415 HG23 ' O ' ' A' ' 118' ' ' VAL . 4.5 m -118.26 94.4 3.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 121.005 0.431 . . . . 0.0 111.098 179.868 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 15.2 t . . . . . 0 C--N 1.331 -0.213 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.164 -179.96 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 207' ' ' LYS . . . . . . . . . . . . . 23.9 tttp . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.796 0.331 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 208' ' ' SER . . . . . . . . . . . . . 1.4 p -177.36 171.83 1.94 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.851 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 209' ' ' PHE . . . . . 0.597 ' CD1' HD11 ' A' ' 47' ' ' ILE . 70.7 t80 -79.56 -51.48 9.24 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 210' ' ' PHE . . . . . . . . . . . . . 73.5 m-85 -56.32 -25.1 47.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.904 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 211' ' ' ASP . . . . . . . . . . . . . 37.7 m-20 -74.44 -46.48 39.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.84 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 212' ' ' LYS . . . . . . . . . . . . . 16.6 ptpt -77.74 -18.36 56.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 213' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -83.95 -39.22 20.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.889 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 214' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -52.96 -29.7 30.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 215' ' ' SER . . . . . 0.505 ' HA ' HD12 ' B' ' 218' ' ' ILE . 69.8 m -59.7 -60.87 3.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.809 -179.79 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 216' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -55.16 -30.66 60.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.909 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 217' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.29 -48.42 65.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 218' ' ' ILE . . . . . 0.505 HD12 ' HA ' ' B' ' 215' ' ' SER . 11.7 mt -54.62 -26.67 16.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.042 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 219' ' ' SER . . . . . . . . . . . . . 1.4 t -104.04 162.91 12.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.86 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 220' ' ' ASN . . . . . . . . . . . . . 8.8 p-10 . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.826 -179.945 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 -0.059 0 CA-C-O 120.829 0.347 . . . . 0.0 111.129 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.561 ' HB1' ' HD2' ' A' ' 25' ' ' PRO . . . -89.71 160.13 42.03 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.638 0.732 . . . . 0.0 111.049 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.561 ' HD2' ' HB1' ' A' ' 24' ' ' ALA . 53.5 Cg_endo -69.7 94.53 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.696 2.264 . . . . 0.0 112.369 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -125.52 150.17 47.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.84 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.583 HD21 HD21 ' A' ' 40' ' ' LEU . 5.2 tp -104.49 111.87 24.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.959 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.457 ' HB1' ' HB3' ' B' ' 214' ' ' ARG . . . 55.03 28.95 11.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.135 179.84 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 94.59 13.0 55.13 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.505 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.48 ' HB2' HD11 ' A' ' 39' ' ' LEU . . . -104.0 113.31 26.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.876 0.369 . . . . 0.0 111.111 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 41.7 t -87.86 -46.53 15.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.156 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.658 ' O ' HG23 ' A' ' 36' ' ' VAL . 19.4 mt-10 -67.89 148.03 51.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.829 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 46.4 t80 -62.36 -49.82 74.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.898 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 6.0 p -51.29 -38.08 50.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.91 -179.8 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.438 ' HB3' ' HB1' ' A' ' 30' ' ' ALA . 3.6 m-20 -72.6 -30.13 64.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.861 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.658 HG23 ' O ' ' A' ' 32' ' ' GLU . 92.5 t -73.39 -56.52 9.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.166 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.726 ' HA ' HD12 ' A' ' 40' ' ' LEU . 2.8 ptmt -56.76 -34.01 67.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.907 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 45.9 m -65.75 -38.31 88.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.112 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.48 HD11 ' HB2' ' A' ' 30' ' ' ALA . 15.6 mt -70.26 -35.99 74.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.909 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.726 HD12 ' HA ' ' A' ' 37' ' ' LYS . 5.9 mt -72.07 -45.9 58.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.887 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.719 ' HA ' HD13 ' A' ' 84' ' ' LEU . 4.2 ttpt -52.4 -43.05 64.53 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.877 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.773 ' O ' HG22 ' A' ' 46' ' ' THR . 25.5 pt-20 -77.14 -41.59 41.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.845 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.476 ' HD1' HD13 ' A' ' 47' ' ' ILE . 39.0 t90 -63.61 -15.24 57.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.946 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.449 HG22 ' O ' ' A' ' 44' ' ' ILE . 37.2 mt -101.9 -13.51 8.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.131 179.863 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.586 HG23 ' O ' ' A' ' 41' ' ' LYS . 69.2 p -103.71 -55.8 2.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.134 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.773 HG22 ' O ' ' A' ' 42' ' ' GLU . 13.1 t -66.13 -16.51 64.02 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.153 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.593 HD11 ' CD1' ' B' ' 209' ' ' PHE . 3.4 mt -128.16 126.16 65.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.128 179.858 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -106.65 -26.25 11.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.794 -179.842 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -112.44 78.03 2.49 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.57 0.7 . . . . 0.0 110.946 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.68 150.82 69.18 Favored 'Trans proline' 0 C--O 1.231 0.137 0 C-N-CA 122.737 2.291 . . . . 0.0 112.316 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 31.1 mtp -98.59 159.36 15.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.88 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -55.57 -40.71 72.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.814 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 21.1 tp10 -64.28 -48.34 76.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.961 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -55.6 -49.78 71.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.926 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 53.9 mt -67.25 -31.53 53.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.132 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.6 mt -63.74 -37.7 88.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.991 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 4.7 mm-40 -54.59 -32.74 59.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.96 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 13.8 t -71.15 -34.96 56.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.105 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.467 HG22 ' HA ' ' A' ' 100' ' ' ILE . 96.8 t -63.36 -50.8 77.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.191 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 32.6 mmm-85 -59.53 -27.23 66.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.803 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 57.6 t80 -75.29 -53.76 8.22 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.897 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . 0.415 ' HB2' HG21 ' A' ' 104' ' ' VAL . 38.9 m -64.79 -43.41 93.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.907 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.753 HG22 HG11 ' A' ' 107' ' ' VAL . 38.2 p -57.73 -28.71 64.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.092 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 31.1 m-20 -73.74 -36.73 65.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.72 HD23 ' HB2' ' A' ' 74' ' ' LEU . 1.4 mp -54.24 -33.68 58.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.912 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.604 HD13 HG13 ' A' ' 107' ' ' VAL . 5.3 mt -63.35 -48.63 86.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.188 179.83 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -73.56 -32.2 64.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.884 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -82.69 -9.13 59.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.827 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 3.1 mmmt 63.36 41.18 7.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.881 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -113.71 35.39 4.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 179.793 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 33.2 mt -53.99 -23.29 12.77 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.885 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -50.46 -49.43 55.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.8 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.772 ' HA ' HD12 ' A' ' 76' ' ' LEU . 2.1 mtpt -78.63 -22.64 46.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.72 ' HB2' HD23 ' A' ' 65' ' ' LEU . 27.3 tp -58.96 -59.46 5.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.936 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.402 ' HA ' HD21 ' A' ' 116' ' ' LEU . 5.1 t0 -56.87 -26.99 59.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.901 179.826 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.772 HD12 ' HA ' ' A' ' 73' ' ' LYS . 38.8 mt -76.97 -44.39 31.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.96 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.568 HG12 ' CE ' ' A' ' 81' ' ' MET . 89.5 t -71.9 -36.88 59.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.202 179.787 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.767 HG21 HD22 ' A' ' 116' ' ' LEU . 31.9 mm -66.67 -53.31 36.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.184 179.871 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.473 ' HA ' ' HG2' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -64.45 -25.06 67.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.861 179.839 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.694 ' CE1' HD11 ' A' ' 84' ' ' LEU . 41.6 t80 -81.13 -44.09 18.43 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.991 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.568 ' CE ' HG12 ' A' ' 77' ' ' VAL . 13.2 ptp -73.9 -32.93 63.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.854 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.473 ' HG2' ' HA ' ' A' ' 79' ' ' LYS . 0.0 OUTLIER -70.13 -31.87 69.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.838 179.917 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 3.5 ptm180 -71.37 -29.72 65.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.877 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.719 HD13 ' HA ' ' A' ' 41' ' ' LYS . 14.3 mt -82.1 -56.46 3.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.913 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 34.8 mtt -54.34 -27.35 35.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.859 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 55.8 mt-30 -79.63 -41.03 27.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.994 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -88.68 9.85 22.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.912 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 96.2 p -68.26 -178.11 1.01 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.874 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 3.1 p -98.76 -31.5 3.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.132 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.783 ' HB3' HG12 ' A' ' 92' ' ' VAL . 50.8 mm-40 -96.7 119.15 34.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.897 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -56.32 -25.71 49.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 -179.805 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.783 HG12 ' HB3' ' A' ' 90' ' ' GLU . 12.4 p -55.33 -30.79 25.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.165 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 5.8 m95 -62.71 -37.03 84.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.955 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 11.1 m120 -55.69 -41.11 73.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.899 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 20.2 mtm -72.36 -35.22 68.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.867 179.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -54.54 -40.79 69.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.143 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.753 ' CZ ' HD11 ' A' ' 101' ' ' LEU . 25.3 t80 -61.46 -48.65 80.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.864 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 37.2 t0 -60.57 -37.83 82.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.935 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 21.0 t80 -55.57 -44.83 77.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.832 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.467 ' HA ' HG22 ' A' ' 59' ' ' VAL . 9.3 mt -66.67 -47.94 81.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.051 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.753 HD11 ' CZ ' ' A' ' 97' ' ' PHE . 28.9 mt -59.79 -37.61 79.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.919 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -58.15 -25.46 61.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 179.787 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 6.9 m-80 -98.73 -42.4 7.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.919 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.415 HG21 ' HB2' ' A' ' 62' ' ' CYS . 79.3 t -71.58 -59.0 3.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.135 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.809 ' HA ' HD23 ' A' ' 108' ' ' LEU . 17.6 mm-40 -48.78 -28.82 3.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.933 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 4.8 t -72.09 -54.28 17.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.119 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.753 HG11 HG22 ' A' ' 63' ' ' THR . 5.4 p -67.06 -26.16 35.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.103 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.852 HD21 ' HA ' ' A' ' 115' ' ' THR . 0.1 OUTLIER -74.03 -38.4 64.04 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.844 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . 0.401 ' N ' ' HG ' ' A' ' 108' ' ' LEU . 18.1 mt-30 -67.15 -41.14 86.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 -63.98 -14.93 57.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 60.5 m -95.77 -60.59 1.61 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.152 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . 0.477 ' CE1' HG23 ' A' ' 66' ' ' ILE . 12.1 m-85 -102.12 -42.93 5.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.027 0.442 . . . . 0.0 110.949 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 111.59 -14.38 27.34 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.43 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.581 ' O ' HD11 ' A' ' 108' ' ' LEU . 0.9 OUTLIER -95.03 -174.0 3.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.943 0.402 . . . . 0.0 110.86 -179.734 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . 0.852 ' HA ' HD21 ' A' ' 108' ' ' LEU . 74.9 p -152.56 -177.79 6.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.109 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.767 HD22 HG21 ' A' ' 78' ' ' ILE . 0.1 OUTLIER -95.84 147.52 23.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.896 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.66 102.47 13.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.857 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 5.0 m -114.62 107.88 24.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.111 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.123 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 207' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.821 0.344 . . . . 0.0 110.876 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 208' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -178.46 168.01 1.83 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 209' ' ' PHE . . . . . 0.593 ' CD1' HD11 ' A' ' 47' ' ' ILE . 70.8 t80 -82.28 -39.27 23.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.905 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 210' ' ' PHE . . . . . . . . . . . . . 30.3 m-85 -65.65 -26.69 67.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.875 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 211' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -76.64 -42.91 40.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 212' ' ' LYS . . . . . . . . . . . . . 7.3 ptmt -76.74 -24.64 53.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 213' ' ' LYS . . . . . . . . . . . . . 2.4 tppt? -82.89 -49.86 9.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.869 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 214' ' ' ARG . . . . . 0.457 ' HB3' ' HB1' ' A' ' 28' ' ' ALA . 52.2 ptt85 -53.15 -32.52 48.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.865 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 215' ' ' SER . . . . . 0.548 ' HA ' HD12 ' B' ' 218' ' ' ILE . 0.3 OUTLIER -59.05 -54.08 51.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.898 -179.814 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 216' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -62.44 -30.72 71.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.874 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 217' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -69.54 -27.18 64.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.873 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 218' ' ' ILE . . . . . 0.548 HD12 ' HA ' ' B' ' 215' ' ' SER . 9.3 mt -80.49 -53.89 11.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.093 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 219' ' ' SER . . . . . . . . . . . . . 2.5 t -89.27 179.55 6.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.854 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 220' ' ' ASN . . . . . . . . . . . . . 15.8 t30 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.895 -179.987 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.777 0.322 . . . . 0.0 111.119 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.587 ' HB1' ' HD2' ' A' ' 25' ' ' PRO . . . -120.26 160.17 44.55 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.596 0.712 . . . . 0.0 111.108 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.587 ' HD2' ' HB1' ' A' ' 24' ' ' ALA . 53.3 Cg_endo -69.77 85.77 0.61 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.652 2.234 . . . . 0.0 112.337 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.457 ' CG ' HG22 ' A' ' 31' ' ' VAL . 1.7 m120 -125.17 151.43 45.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.845 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.494 HD21 HD21 ' A' ' 40' ' ' LEU . 8.9 tp -107.23 114.14 27.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.925 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 54.54 27.79 8.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.182 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 94.95 13.08 54.38 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.521 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.463 ' HB2' HD11 ' A' ' 39' ' ' LEU . . . -103.86 113.16 26.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.819 0.343 . . . . 0.0 111.14 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.457 HG22 ' CG ' ' A' ' 26' ' ' ASN . 21.7 t -90.79 -37.04 8.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.101 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.736 ' O ' HG23 ' A' ' 36' ' ' VAL . 5.9 mm-40 -72.06 143.5 49.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.931 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 43.9 t80 -61.52 -51.17 69.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.835 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 52.2 p -52.28 -36.96 54.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -73.49 -29.5 62.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.83 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.736 HG23 ' O ' ' A' ' 32' ' ' GLU . 91.5 t -72.15 -56.42 10.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.191 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.509 ' HA ' HD12 ' A' ' 40' ' ' LEU . 4.8 ptmt -57.19 -31.99 66.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.854 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 54.3 m -67.04 -40.03 87.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.165 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.463 HD11 ' HB2' ' A' ' 30' ' ' ALA . 8.9 mt -69.62 -35.13 74.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.509 HD12 ' HA ' ' A' ' 37' ' ' LYS . 14.2 mt -71.95 -46.97 55.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.936 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.703 ' HA ' HD13 ' A' ' 84' ' ' LEU . 9.5 ttpt -52.1 -42.76 63.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.937 179.781 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.772 ' O ' HG22 ' A' ' 46' ' ' THR . 12.7 pt-20 -77.32 -41.96 38.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.883 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.476 ' HD1' HD13 ' A' ' 47' ' ' ILE . 39.1 t90 -63.8 -15.25 58.28 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.865 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.461 HG22 ' O ' ' A' ' 44' ' ' ILE . 33.4 mt -101.89 -12.78 8.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.121 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.584 HG23 ' O ' ' A' ' 41' ' ' LYS . 76.0 p -104.32 -55.8 2.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.131 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.772 HG22 ' O ' ' A' ' 42' ' ' GLU . 13.3 t -66.4 -15.72 63.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.175 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.621 HD11 ' CD1' ' B' ' 209' ' ' PHE . 3.4 mt -128.94 128.07 66.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.146 179.841 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -106.94 -25.16 11.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.794 -179.882 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 -116.97 82.03 12.99 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-O 121.573 0.701 . . . . 0.0 110.826 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 148.59 65.56 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.626 2.217 . . . . 0.0 112.368 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 23.2 ttm -90.38 152.6 20.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.834 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -52.78 -34.13 51.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.835 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -71.52 -47.78 53.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.889 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -55.43 -47.67 75.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.836 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 51.2 mt -65.54 -31.64 54.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.123 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.4 mt -62.71 -38.98 92.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.933 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 8.0 mm-40 -54.52 -32.36 57.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.853 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 17.2 t -71.3 -34.62 54.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.135 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.604 HG22 ' HA ' ' A' ' 100' ' ' ILE . 96.1 t -65.63 -51.18 65.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.156 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 23.2 mmt85 -60.42 -26.0 66.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 61.1 t80 -75.26 -52.17 11.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.915 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 66.1 m -67.84 -45.51 74.44 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.866 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.589 HG23 HG22 ' A' ' 104' ' ' VAL . 46.4 p -56.35 -26.78 53.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.134 -179.882 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 60.6 m-20 -73.45 -37.81 65.71 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.826 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.669 HD23 ' HB2' ' A' ' 74' ' ' LEU . 1.6 mp -54.48 -33.02 58.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.911 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.667 HD13 HG13 ' A' ' 107' ' ' VAL . 3.2 mt -64.21 -44.78 97.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.114 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -73.88 -35.24 64.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.941 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 35.0 mm-40 -82.49 -9.01 59.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.904 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 27.4 mmtt 64.6 40.58 5.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.886 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -112.65 36.53 3.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.916 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 33.5 mt -54.15 -22.99 12.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.91 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 -50.37 -48.46 55.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.829 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.696 ' HA ' HD12 ' A' ' 76' ' ' LEU . 1.4 mtpm? -78.74 -22.39 46.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.833 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.669 ' HB2' HD23 ' A' ' 65' ' ' LEU . 25.2 tp -59.91 -50.54 73.36 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.913 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.533 ' HA ' HD21 ' A' ' 116' ' ' LEU . 0.9 OUTLIER -62.61 -29.26 70.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.875 179.815 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.696 HD12 ' HA ' ' A' ' 73' ' ' LYS . 21.3 mt -76.85 -45.26 29.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.829 -179.887 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.574 HG12 ' CE ' ' A' ' 81' ' ' MET . 99.3 t -70.21 -42.29 78.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.138 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.796 HG21 HD22 ' A' ' 116' ' ' LEU . 27.1 mm -64.17 -52.36 57.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.109 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.465 ' HA ' ' HG2' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -64.3 -25.31 67.99 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.863 179.852 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.664 ' CE1' HD11 ' A' ' 84' ' ' LEU . 38.2 t80 -80.64 -43.42 20.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.929 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.574 ' CE ' HG12 ' A' ' 77' ' ' VAL . 14.5 ptp -74.38 -32.79 62.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.891 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.465 ' HG2' ' HA ' ' A' ' 79' ' ' LYS . 0.0 OUTLIER -70.51 -31.99 69.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.922 179.936 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 1.6 ptm180 -71.2 -29.52 65.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.848 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.703 HD13 ' HA ' ' A' ' 41' ' ' LYS . 19.1 mt -82.51 -55.33 4.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.851 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 29.6 mtt -55.25 -26.25 38.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.842 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 57.7 mt-30 -81.27 -55.07 4.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.877 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -65.41 -14.7 61.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.904 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 2.1 m -51.95 164.76 0.24 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.81 -179.702 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 2.4 m -85.35 -26.28 6.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.065 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.423 ' HB3' HG22 ' A' ' 92' ' ' VAL . 3.6 mm-40 -94.68 128.44 41.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 53.8 p -70.56 -25.71 63.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.842 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.423 HG22 ' HB3' ' A' ' 90' ' ' GLU . 29.2 m -55.02 -26.14 17.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.109 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 9.2 m95 -68.3 -35.45 77.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.935 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 12.5 m-80 -56.17 -38.7 71.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.895 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 19.6 mtm -72.42 -39.26 68.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.899 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -53.18 -38.92 63.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.072 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.784 ' CZ ' HD11 ' A' ' 101' ' ' LEU . 24.8 t80 -64.4 -48.64 74.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.848 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 39.3 t0 -60.42 -34.08 73.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.872 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 37.6 t80 -58.61 -48.74 79.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.908 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.604 ' HA ' HG22 ' A' ' 59' ' ' VAL . 5.7 mt -63.6 -39.02 83.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.162 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.784 HD11 ' CZ ' ' A' ' 97' ' ' PHE . 26.8 mt -69.71 -33.86 73.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -59.52 -29.32 67.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.86 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 20.2 m-80 -97.99 -37.74 9.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.89 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.589 HG22 HG23 ' A' ' 63' ' ' THR . 82.1 t -73.43 -60.64 2.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.14 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.829 ' HA ' HD23 ' A' ' 108' ' ' LEU . 18.5 mm-40 -49.22 -29.47 5.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.85 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 3.3 t -70.58 -53.2 23.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.065 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.667 HG13 HD13 ' A' ' 66' ' ' ILE . 7.5 p -68.7 -24.98 29.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.096 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.875 HD21 ' HA ' ' A' ' 115' ' ' THR . 0.1 OUTLIER -74.16 -38.81 63.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.939 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . 0.406 ' N ' ' HG ' ' A' ' 108' ' ' LEU . 24.7 mt-30 -66.17 -41.02 90.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.921 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -64.46 -14.85 59.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 73.6 m -95.63 -59.35 1.89 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.094 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . . . . . . . . . 11.9 m-85 -104.44 -42.87 5.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.892 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 111.15 -14.3 28.45 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.426 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.592 ' O ' HD11 ' A' ' 108' ' ' LEU . 1.2 t -95.14 -173.24 2.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.933 0.397 . . . . 0.0 110.827 -179.698 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . 0.875 ' HA ' HD21 ' A' ' 108' ' ' LEU . 67.4 p -152.48 -177.91 6.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.115 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.796 HD22 HG21 ' A' ' 78' ' ' ILE . 0.1 OUTLIER -92.51 155.48 17.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.912 179.95 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.5 97.71 7.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.868 179.863 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 3.9 m -118.34 93.21 2.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.119 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 9.8 t . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.113 -179.924 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 207' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.457 -0.091 0 CA-C-O 120.845 0.355 . . . . 0.0 110.852 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 208' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -179.45 159.85 0.94 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.86 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 209' ' ' PHE . . . . . 0.621 ' CD1' HD11 ' A' ' 47' ' ' ILE . 76.9 t80 -69.01 -44.14 73.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.885 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 210' ' ' PHE . . . . . . . . . . . . . 28.8 m-85 -61.73 -25.44 67.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.904 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 211' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -73.25 -46.77 48.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.845 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 212' ' ' LYS . . . . . . . . . . . . . 7.7 ptpp? -71.08 -23.95 62.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.931 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 213' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -82.29 -49.43 10.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 214' ' ' ARG . . . . . . . . . . . . . 41.8 ptt85 -58.06 -30.09 65.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.907 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 215' ' ' SER . . . . . . . . . . . . . 26.7 t -77.68 -31.47 52.5 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.823 -179.787 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 216' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -61.07 -47.57 85.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.88 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 217' ' ' ARG . . . . . . . . . . . . . 12.0 ptm180 -65.74 -39.94 91.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.836 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 218' ' ' ILE . . . . . . . . . . . . . 52.2 mt -69.17 -24.73 28.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.162 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 219' ' ' SER . . . . . . . . . . . . . 13.8 p -97.02 178.04 5.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.862 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 220' ' ' ASN . . . . . . . . . . . . . 17.5 p30 . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.878 -179.999 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.739 0.304 . . . . 0.0 111.081 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.577 ' HB1' ' HD2' ' A' ' 25' ' ' PRO . . . -96.15 160.35 30.09 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.6 0.714 . . . . 0.0 111.052 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.577 ' HD2' ' HB1' ' A' ' 24' ' ' ALA . 53.3 Cg_endo -69.81 98.12 0.68 Allowed 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.692 2.261 . . . . 0.0 112.292 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -125.97 147.57 49.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.835 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.63 HD21 HD21 ' A' ' 40' ' ' LEU . 10.4 tp -108.23 115.95 31.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.876 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 56.37 29.83 15.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.13 179.766 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 89.37 13.15 62.05 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.493 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -104.92 119.39 38.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.853 0.359 . . . . 0.0 111.052 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 21.8 t -93.74 -36.92 7.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.109 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.74 ' O ' HG23 ' A' ' 36' ' ' VAL . 33.2 mm-40 -72.82 146.27 46.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.916 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 42.1 t80 -62.85 -51.02 68.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.857 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 12.2 p -51.72 -37.58 51.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.872 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -73.26 -29.41 62.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.879 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.74 HG23 ' O ' ' A' ' 32' ' ' GLU . 88.8 t -72.36 -57.23 7.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.123 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.418 ' HA ' HD12 ' A' ' 40' ' ' LEU . 3.2 ptmt -56.62 -34.85 67.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 55.5 m -64.98 -36.87 85.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.16 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 12.9 mt -70.52 -36.62 73.85 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.932 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.63 HD21 HD21 ' A' ' 27' ' ' LEU . 13.8 mt -72.26 -46.18 57.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.909 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.728 ' HA ' HD13 ' A' ' 84' ' ' LEU . 0.9 OUTLIER -52.05 -43.0 63.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.899 179.805 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.776 ' O ' HG22 ' A' ' 46' ' ' THR . 12.0 pt-20 -77.17 -41.78 40.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.927 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.51 ' HD1' HD13 ' A' ' 47' ' ' ILE . 34.7 t90 -63.85 -15.26 58.46 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.885 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.474 HG22 ' O ' ' A' ' 44' ' ' ILE . 35.3 mt -102.23 -11.9 8.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.161 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.575 HG23 ' O ' ' A' ' 41' ' ' LYS . 77.4 p -105.58 -55.98 2.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.137 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.776 HG22 ' O ' ' A' ' 42' ' ' GLU . 12.6 t -66.9 -16.85 64.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.12 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.575 HD11 ' CD1' ' B' ' 209' ' ' PHE . 3.4 mt -128.05 127.58 67.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.139 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.8 m -106.81 -26.39 11.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.853 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -113.85 80.98 5.53 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.623 0.725 . . . . 0.0 110.884 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.83 147.93 63.53 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.652 2.235 . . . . 0.0 112.404 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 11.6 ttp -95.48 167.51 11.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.901 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.43 -58.1 9.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.923 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -51.72 -31.33 25.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -69.94 -49.89 47.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.896 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 63.4 mt -66.22 -42.76 91.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.145 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -51.84 -40.07 59.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 8.9 mm-40 -54.04 -32.18 53.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.875 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 12.0 t -72.98 -34.7 46.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.095 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.538 HG22 ' HA ' ' A' ' 100' ' ' ILE . 91.3 t -67.7 -52.45 40.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.156 179.877 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 40.8 mmm-85 -58.64 -25.8 63.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.913 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 69.9 t80 -75.46 -52.08 11.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.956 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 56.9 m -67.3 -46.1 74.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.892 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.74 HG22 HG11 ' A' ' 107' ' ' VAL . 34.8 p -53.51 -28.44 31.16 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.218 -179.864 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 43.2 m-20 -73.71 -38.02 64.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.894 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.813 HD23 ' HB2' ' A' ' 74' ' ' LEU . 1.0 OUTLIER -54.31 -32.78 57.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.891 -179.931 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.609 HD13 HG13 ' A' ' 107' ' ' VAL . 6.0 mt -65.46 -48.59 82.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.117 179.859 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -73.39 -28.38 61.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -86.96 -10.07 54.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 3.9 mmmm 63.99 42.96 5.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.922 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -115.64 35.72 4.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.853 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.629 HD11 ' CE2' ' A' ' 112' ' ' TYR . 21.4 mt -58.01 -17.25 16.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.96 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -50.15 -54.9 17.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.911 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.622 ' HA ' HD12 ' A' ' 76' ' ' LEU . 0.0 OUTLIER -78.92 -22.2 46.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.923 179.939 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.813 ' HB2' HD23 ' A' ' 65' ' ' LEU . 37.0 tp -53.59 -52.79 58.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.932 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.44 -27.77 68.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.862 179.855 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.622 HD12 ' HA ' ' A' ' 73' ' ' LYS . 42.3 mt -76.68 -44.01 35.49 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.928 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.497 HG12 ' CE ' ' A' ' 81' ' ' MET . 86.4 t -70.43 -40.55 77.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.149 179.793 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.773 HG21 HD22 ' A' ' 116' ' ' LEU . 29.6 mm -64.96 -53.07 45.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.174 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.46 ' HA ' ' HG2' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -64.36 -25.16 67.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.912 179.819 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.698 ' CE1' HD11 ' A' ' 84' ' ' LEU . 42.3 t80 -80.92 -43.42 19.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.526 ' CE ' HD13 ' A' ' 78' ' ' ILE . 12.6 ptp -74.58 -31.88 62.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.853 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.46 ' HG2' ' HA ' ' A' ' 79' ' ' LYS . 0.0 OUTLIER -71.32 -32.2 68.31 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.872 179.956 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 2.3 ptm180 -71.52 -28.69 64.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.867 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.728 HD13 ' HA ' ' A' ' 41' ' ' LYS . 16.1 mt -82.67 -55.36 4.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 26.0 mtt -55.87 -25.98 44.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.933 179.804 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 51.3 mt-30 -80.85 -42.43 21.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.977 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -85.52 4.59 35.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.86 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 98.6 p -64.76 -177.41 0.33 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.858 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 2.9 p -100.12 -31.28 3.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.163 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.665 ' HB3' HG12 ' A' ' 92' ' ' VAL . 5.2 mm-40 -91.71 135.68 33.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.952 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 2.7 t -71.73 -23.72 61.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 -179.767 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.665 HG12 ' HB3' ' A' ' 90' ' ' GLU . 10.6 p -60.68 -28.93 43.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.153 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 4.6 m95 -64.05 -37.1 86.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.912 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -57.82 -41.99 83.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.899 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 17.6 mtm -72.65 -35.1 67.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.897 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -53.35 -44.92 68.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.095 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.79 ' CZ ' HD11 ' A' ' 101' ' ' LEU . 23.5 t80 -59.38 -44.98 92.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.884 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 42.2 t0 -62.46 -39.01 92.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 24.9 t80 -55.61 -48.75 74.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.896 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.538 ' HA ' HG22 ' A' ' 59' ' ' VAL . 9.2 mt -62.5 -40.3 87.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.171 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.79 HD11 ' CZ ' ' A' ' 97' ' ' PHE . 23.0 mt -67.78 -35.44 78.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.917 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -60.08 -27.31 66.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 179.835 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 5.2 m-80 -98.44 -38.21 9.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.894 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.476 HG23 ' O ' ' A' ' 100' ' ' ILE . 83.5 t -74.34 -59.32 3.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.078 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.822 ' HA ' HD23 ' A' ' 108' ' ' LEU . 13.4 mm-40 -48.96 -28.95 4.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.85 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 4.6 t -70.55 -56.98 9.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.116 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.74 HG11 HG22 ' A' ' 63' ' ' THR . 5.0 p -64.62 -25.63 38.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.108 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.862 HD21 ' HA ' ' A' ' 115' ' ' THR . 0.1 OUTLIER -74.04 -39.11 63.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.917 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . 0.404 ' N ' ' HG ' ' A' ' 108' ' ' LEU . 17.3 mt-30 -66.32 -41.22 89.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.942 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 -63.42 -15.58 58.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.93 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 55.5 m -95.68 -60.64 1.61 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.075 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . 0.629 ' CE2' HD11 ' A' ' 71' ' ' LEU . 7.6 m-85 -102.42 -43.06 5.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.957 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 111.01 -14.52 28.74 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.527 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.579 ' O ' HD11 ' A' ' 108' ' ' LEU . 1.0 OUTLIER -94.46 -174.27 3.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.004 0.43 . . . . 0.0 110.883 -179.754 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . 0.862 ' HA ' HD21 ' A' ' 108' ' ' LEU . 68.0 p -152.49 -178.21 6.7 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.138 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.773 HD22 HG21 ' A' ' 78' ' ' ILE . 0.1 OUTLIER -97.32 146.06 25.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.895 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.86 98.78 10.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.903 179.877 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.499 HG11 ' HZ ' ' A' ' 97' ' ' PHE . 4.9 m -117.81 105.86 18.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.116 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 14.8 t . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.08 -179.971 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 207' ' ' LYS . . . . . . . . . . . . . 14.1 mtmt . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.788 0.327 . . . . 0.0 110.916 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 208' ' ' SER . . . . . . . . . . . . . 34.3 p -174.51 173.34 2.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.857 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 209' ' ' PHE . . . . . 0.575 ' CD1' HD11 ' A' ' 47' ' ' ILE . 80.1 t80 -82.58 -46.81 12.87 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.869 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 210' ' ' PHE . . . . . . . . . . . . . 67.8 m-85 -62.41 -24.68 67.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.863 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 211' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -76.23 -43.02 44.04 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.868 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 212' ' ' LYS . . . . . . . . . . . . . 19.3 ptpt -77.34 -23.91 50.82 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 213' ' ' LYS . . . . . . . . . . . . . 8.3 tmtt? -83.38 -44.57 14.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.884 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 214' ' ' ARG . . . . . . . . . . . . . 13.4 ptp180 -60.98 -31.76 71.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.865 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 215' ' ' SER . . . . . . . . . . . . . 1.4 t -61.78 -40.61 95.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.844 -179.769 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 216' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -67.05 -41.64 86.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.872 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 217' ' ' ARG . . . . . . . . . . . . . 57.6 ttt85 -58.69 -26.79 64.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.832 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 218' ' ' ILE . . . . . . . . . . . . . 50.5 mt -80.61 -25.25 11.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.112 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 219' ' ' SER . . . . . . . . . . . . . 2.8 t -95.04 -74.31 0.55 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.833 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 220' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.928 -179.962 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.88 0.372 . . . . 0.0 111.098 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.592 ' HB1' ' HD2' ' A' ' 25' ' ' PRO . . . -104.08 160.26 26.64 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.58 0.705 . . . . 0.0 111.082 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.592 ' HD2' ' HB1' ' A' ' 24' ' ' ALA . 54.4 Cg_endo -69.67 96.51 0.59 Allowed 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.632 2.221 . . . . 0.0 112.426 179.864 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.526 ' ND2' HG22 ' A' ' 31' ' ' VAL . 1.6 m120 -126.16 135.32 51.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.921 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.574 HD21 HD21 ' A' ' 40' ' ' LEU . 12.5 tp -102.78 113.51 26.98 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.941 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 56.81 27.65 13.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.042 179.805 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 92.36 13.03 57.85 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.487 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.475 ' HB2' HD11 ' A' ' 39' ' ' LEU . . . -106.83 118.74 37.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.814 0.34 . . . . 0.0 111.065 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.526 HG22 ' ND2' ' A' ' 26' ' ' ASN . 22.0 t -95.38 -38.35 8.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.153 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.739 ' O ' HG23 ' A' ' 36' ' ' VAL . 6.4 mm-40 -72.22 143.48 48.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.933 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 43.3 t80 -58.53 -51.33 70.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.868 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.49 -37.47 49.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.837 -179.76 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -75.61 -29.72 59.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.922 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.739 HG23 ' O ' ' A' ' 32' ' ' GLU . 99.0 t -73.54 -49.43 36.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.088 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.526 ' HA ' HD12 ' A' ' 40' ' ' LEU . 6.3 pttt -63.48 -30.43 71.55 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 54.9 m -67.48 -39.99 85.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.224 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.475 HD11 ' HB2' ' A' ' 30' ' ' ALA . 15.1 mt -67.14 -37.53 83.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.925 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.574 HD21 HD21 ' A' ' 27' ' ' LEU . 8.7 mt -71.87 -45.06 62.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.728 ' HA ' HD13 ' A' ' 84' ' ' LEU . 9.0 ttpt -52.94 -44.54 67.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 179.868 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.794 ' O ' HG22 ' A' ' 46' ' ' THR . 23.1 pt-20 -77.26 -39.75 47.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.862 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.56 ' HD1' HD13 ' A' ' 47' ' ' ILE . 28.6 t90 -64.06 -14.87 57.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.893 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.475 HG22 ' O ' ' A' ' 44' ' ' ILE . 33.6 mt -103.36 -11.69 9.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.144 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.609 HG23 ' O ' ' A' ' 41' ' ' LYS . 81.2 p -105.09 -55.75 2.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.229 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.794 HG22 ' O ' ' A' ' 42' ' ' GLU . 12.7 t -68.7 -11.6 60.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.151 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.562 HD12 HG23 ' A' ' 46' ' ' THR . 3.2 mt -133.36 128.69 55.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.058 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -107.03 -25.59 11.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.865 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -114.35 81.71 6.88 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.671 0.748 . . . . 0.0 110.901 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 148.04 64.27 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.685 2.257 . . . . 0.0 112.369 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 7.1 ttp -93.59 148.02 22.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.868 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.694 ' HA ' HD12 ' A' ' 55' ' ' ILE . 4.9 tp10 -52.46 -52.27 55.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.889 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -51.78 -51.48 56.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -56.68 -34.09 67.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.863 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.694 HD12 ' HA ' ' A' ' 52' ' ' GLU . 20.0 mt -71.62 -41.68 71.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.17 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.405 HD23 ' O ' ' A' ' 52' ' ' GLU . 4.0 mm? -51.97 -38.21 55.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.884 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 3.0 mm-40 -56.36 -32.19 64.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.885 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 13.0 t -71.58 -34.67 53.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.175 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.573 HG22 ' HA ' ' A' ' 100' ' ' ILE . 88.4 t -67.35 -51.22 54.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.101 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 26.3 mmt180 -60.15 -26.31 66.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.459 ' OH ' HG21 ' A' ' 36' ' ' VAL . 59.3 t80 -74.87 -52.95 9.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.916 -179.847 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 57.4 m -66.88 -45.76 77.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.937 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.563 HG23 HG22 ' A' ' 104' ' ' VAL . 43.7 p -55.94 -26.01 45.95 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.165 -179.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 30.8 m-20 -73.54 -37.99 65.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.854 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.651 HD23 ' HB2' ' A' ' 74' ' ' LEU . 1.3 mp -54.74 -36.06 64.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.878 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.651 HD13 HG13 ' A' ' 107' ' ' VAL . 3.6 mt -61.66 -45.73 98.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.115 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -74.12 -34.13 63.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.897 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 68.4 mm-40 -82.58 -7.31 59.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.894 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 6.6 mmmt 63.55 39.94 8.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.893 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 35.7 m-20 -112.79 36.66 3.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.934 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.546 HD11 ' CZ ' ' A' ' 112' ' ' TYR . 33.9 mt -54.01 -23.04 12.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.867 -179.856 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -50.21 -49.27 53.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.889 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.723 ' HA ' HD12 ' A' ' 76' ' ' LEU . 1.3 mtpp -78.79 -22.87 45.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.651 ' HB2' HD23 ' A' ' 65' ' ' LEU . 22.0 tp -60.81 -62.05 2.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.936 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -53.31 -28.68 29.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.851 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.723 HD12 ' HA ' ' A' ' 73' ' ' LYS . 27.1 mt -76.66 -44.96 31.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.917 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.638 HG23 ' O ' ' A' ' 73' ' ' LYS . 87.7 t -69.93 -33.43 55.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.125 179.834 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.721 HG21 HD22 ' A' ' 116' ' ' LEU . 31.9 mm -70.22 -55.43 14.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.126 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.459 ' HA ' ' HG2' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -62.58 -25.19 67.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.933 179.828 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.673 ' CE1' HD11 ' A' ' 84' ' ' LEU . 52.9 t80 -79.32 -44.28 21.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.874 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.535 ' CE ' HG12 ' A' ' 77' ' ' VAL . 15.2 ptp -74.42 -32.1 62.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.923 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.459 ' HG2' ' HA ' ' A' ' 79' ' ' LYS . 0.0 OUTLIER -70.19 -31.67 69.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 179.926 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 1.6 ptm180 -73.04 -29.8 63.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.905 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.728 HD13 ' HA ' ' A' ' 41' ' ' LYS . 17.0 mt -82.51 -55.9 4.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.881 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 39.1 mtt -54.41 -27.28 35.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.939 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 60.4 mt-30 -80.56 -55.4 4.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -64.22 -15.81 60.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.863 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 2.8 m -53.98 174.94 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 -179.776 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 3.1 p -94.96 -32.57 4.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.148 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.648 ' HB3' HG12 ' A' ' 92' ' ' VAL . 8.8 mm-40 -83.18 123.98 30.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.917 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 9.2 m -67.87 -26.47 66.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 -179.788 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.648 HG12 ' HB3' ' A' ' 90' ' ' GLU . 10.8 p -55.84 -25.87 19.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.124 179.886 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 16.6 m95 -65.27 -27.09 68.39 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.868 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 8.5 m-80 -66.36 -39.64 89.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.895 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 11.1 mtt -72.34 -39.66 67.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.941 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -54.93 -43.19 73.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.121 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.812 ' CZ ' HD11 ' A' ' 101' ' ' LEU . 24.7 t80 -60.52 -43.91 96.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -66.41 -33.94 76.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.807 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 38.2 t80 -60.02 -47.68 84.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.951 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.573 ' HA ' HG22 ' A' ' 59' ' ' VAL . 6.4 mt -65.39 -37.51 80.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.144 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.812 HD11 ' CZ ' ' A' ' 97' ' ' PHE . 7.8 mt -71.49 -33.2 69.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.955 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -60.26 -28.27 67.92 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.871 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 9.8 m-80 -98.21 -37.88 9.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.829 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.563 HG22 HG23 ' A' ' 63' ' ' THR . 80.6 t -73.71 -59.74 3.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.16 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.816 ' HA ' HD23 ' A' ' 108' ' ' LEU . 9.5 mm-40 -49.19 -29.72 5.94 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.933 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 4.4 t -70.66 -55.09 15.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.066 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.651 HG13 HD13 ' A' ' 66' ' ' ILE . 7.6 p -65.98 -24.8 34.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.185 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.854 HD21 ' HA ' ' A' ' 115' ' ' THR . 0.1 OUTLIER -74.17 -39.19 63.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.898 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . 0.404 ' N ' ' HG ' ' A' ' 108' ' ' LEU . 32.6 mt-30 -66.38 -41.11 89.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.868 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 -64.73 -14.39 58.52 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.926 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 84.5 m -95.64 -60.82 1.57 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.153 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . 0.546 ' CZ ' HD11 ' A' ' 71' ' ' LEU . 10.6 m-85 -101.69 -43.3 5.9 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.962 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 105.4 42.57 1.72 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.513 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.412 ' O ' HD11 ' A' ' 108' ' ' LEU . 1.2 t -153.57 179.42 8.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.957 0.408 . . . . 0.0 110.89 -179.761 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . 0.854 ' HA ' HD21 ' A' ' 108' ' ' LEU . 69.4 p -152.03 150.74 30.31 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.114 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.721 HD22 HG21 ' A' ' 78' ' ' ILE . 0.1 OUTLIER -66.57 155.5 37.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.886 179.956 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.4 97.21 7.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.897 179.784 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.636 HG11 ' HZ ' ' A' ' 97' ' ' PHE . 3.9 m -118.31 87.41 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.168 179.841 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 9.1 t . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.137 -179.954 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 207' ' ' LYS . . . . . . . . . . . . . 6.8 tmtm? . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.826 0.346 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 208' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -179.91 153.17 0.5 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.918 -179.888 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 209' ' ' PHE . . . . . 0.545 ' CD1' HD11 ' A' ' 47' ' ' ILE . 72.9 t80 -64.99 -45.32 86.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.774 -179.851 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 210' ' ' PHE . . . . . . . . . . . . . 40.2 m-85 -61.83 -25.44 67.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.821 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 211' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -76.57 -44.29 35.29 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.871 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 212' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.4 -18.92 56.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.953 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 213' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -86.62 -45.54 10.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.912 179.863 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 214' ' ' ARG . . . . . . . . . . . . . 26.5 ptt180 -55.96 -26.17 46.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.882 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 215' ' ' SER . . . . . 0.574 ' HA ' HD12 ' B' ' 218' ' ' ILE . 45.3 t -76.38 -26.05 55.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.845 -179.792 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 216' ' ' GLU . . . . . . . . . . . . . 47.7 mm-40 -65.63 -55.64 16.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.886 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 217' ' ' ARG . . . . . . . . . . . . . 3.7 ptp85 -55.07 -32.74 62.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.886 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 218' ' ' ILE . . . . . 0.574 HD12 ' HA ' ' B' ' 215' ' ' SER . 48.2 mt -71.48 -25.09 24.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.109 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 219' ' ' SER . . . . . . . . . . . . . 8.9 t -93.23 -172.8 3.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 220' ' ' ASN . . . . . . . . . . . . . 4.9 m120 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.922 179.973 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.797 0.332 . . . . 0.0 111.048 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.567 ' HB1' ' HD2' ' A' ' 25' ' ' PRO . . . -120.37 159.74 46.56 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.558 0.694 . . . . 0.0 111.123 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.567 ' HD2' ' HB1' ' A' ' 24' ' ' ALA . 53.7 Cg_endo -69.81 93.01 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.699 2.266 . . . . 0.0 112.31 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.473 ' ND2' HG22 ' A' ' 31' ' ' VAL . 2.0 m120 -123.65 137.93 54.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.917 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.532 HD21 HD21 ' A' ' 40' ' ' LEU . 4.2 tp -102.13 114.09 27.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.968 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.46 ' HB3' HD13 ' A' ' 39' ' ' LEU . . . 55.93 31.23 17.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.095 179.841 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 89.29 12.69 62.83 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.507 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.576 ' HB2' HD11 ' A' ' 39' ' ' LEU . . . -105.45 117.75 34.82 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.796 0.332 . . . . 0.0 111.092 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.473 HG22 ' ND2' ' A' ' 26' ' ' ASN . 23.5 t -93.75 -41.36 12.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.163 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.743 ' O ' HG23 ' A' ' 36' ' ' VAL . 38.8 mt-10 -71.26 145.17 49.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.914 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 45.8 t80 -60.11 -50.35 74.05 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.873 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -52.12 -37.2 53.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.849 -179.758 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 61.0 m-20 -74.76 -29.45 61.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.897 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.743 HG23 ' O ' ' A' ' 32' ' ' GLU . 81.8 t -71.09 -54.42 17.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.161 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.446 ' HA ' HD12 ' A' ' 40' ' ' LEU . 6.3 pttt -58.93 -32.32 69.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.817 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 63.5 m -65.75 -39.2 90.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.132 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.576 HD11 ' HB2' ' A' ' 30' ' ' ALA . 19.5 mt -69.52 -36.38 76.36 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.937 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.532 HD21 HD21 ' A' ' 27' ' ' LEU . 14.1 mt -71.97 -45.99 58.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.928 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.715 ' HA ' HD13 ' A' ' 84' ' ' LEU . 11.3 ttpt -52.86 -43.7 66.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.892 179.798 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.781 ' O ' HG22 ' A' ' 46' ' ' THR . 25.2 pt-20 -77.45 -41.13 40.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.86 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.52 ' HD1' HD13 ' A' ' 47' ' ' ILE . 33.1 t90 -63.24 -15.42 57.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.93 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.453 HG22 ' O ' ' A' ' 44' ' ' ILE . 38.1 mt -102.11 -13.39 8.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.162 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.582 HG23 ' O ' ' A' ' 41' ' ' LYS . 71.7 p -103.78 -56.12 2.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.148 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.781 HG22 ' O ' ' A' ' 42' ' ' GLU . 12.7 t -66.64 -17.54 64.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.092 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.557 HD12 HG23 ' A' ' 46' ' ' THR . 3.2 mt -128.03 127.17 67.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.159 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -106.82 -25.76 11.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.858 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 86.4 m-20 -112.6 79.6 3.24 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.612 0.72 . . . . 0.0 110.906 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.66 143.26 50.75 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.706 2.27 . . . . 0.0 112.376 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 65.3 mtm -91.46 166.79 12.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.844 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -63.85 -57.76 8.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -51.67 -31.55 26.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.909 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -73.08 -39.75 65.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.909 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 19.6 mt -71.87 -41.81 69.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.144 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -52.15 -38.55 57.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.912 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -54.16 -31.26 52.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.945 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 11.7 t -73.46 -34.67 43.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.094 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.452 HG22 ' HA ' ' A' ' 100' ' ' ILE . 96.8 t -67.96 -51.83 45.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.089 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 16.8 mmm180 -58.72 -25.7 63.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.89 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.404 ' CG ' HD13 ' A' ' 27' ' ' LEU . 67.8 t80 -75.53 -51.84 12.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.862 -179.841 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . 0.414 ' HB2' HG21 ' A' ' 104' ' ' VAL . 33.5 m -67.44 -46.06 74.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.958 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.798 HG22 HG11 ' A' ' 107' ' ' VAL . 34.8 p -53.94 -27.73 32.81 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.185 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 71.5 m-20 -73.97 -37.51 64.47 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.857 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.808 HD23 ' HB2' ' A' ' 74' ' ' LEU . 0.9 OUTLIER -54.22 -37.97 65.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.906 -179.938 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.608 ' HA ' HD21 ' A' ' 71' ' ' LEU . 6.0 mt -59.97 -48.05 89.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.116 179.85 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -73.16 -32.98 65.21 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.938 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 48.0 mm-40 -83.91 -2.37 56.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.901 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 57.08 42.92 25.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.857 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -114.32 34.15 4.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.882 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.757 HD11 ' CE2' ' A' ' 112' ' ' TYR . 21.4 mt -56.6 -18.66 12.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.96 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -50.29 -54.82 18.65 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.886 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.784 ' HE2' HD11 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -78.56 -22.27 47.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.939 179.928 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.808 ' HB2' HD23 ' A' ' 65' ' ' LEU . 39.5 tp -53.94 -53.7 49.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.978 179.888 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.697 ' HA ' HD11 ' A' ' 116' ' ' LEU . 0.2 OUTLIER -61.61 -27.2 68.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 179.785 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.652 HD12 ' HA ' ' A' ' 73' ' ' LYS . 48.3 mt -76.7 -42.65 40.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.874 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.465 HG12 ' CE ' ' A' ' 81' ' ' MET . 92.4 t -70.79 -42.34 77.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.189 179.797 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.548 HD13 ' CE ' ' A' ' 81' ' ' MET . 30.4 mm -63.07 -53.72 42.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.147 179.862 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.446 ' HA ' ' HG2' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -63.8 -25.1 68.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.842 179.917 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.674 ' CE1' HD11 ' A' ' 84' ' ' LEU . 38.9 t80 -80.09 -43.7 21.3 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.885 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.548 ' CE ' HD13 ' A' ' 78' ' ' ILE . 14.3 ptp -74.42 -31.95 62.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.842 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.446 ' HG2' ' HA ' ' A' ' 79' ' ' LYS . 0.0 OUTLIER -70.94 -32.09 68.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.892 179.912 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 2.4 ptm180 -71.2 -29.73 65.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.715 HD13 ' HA ' ' A' ' 41' ' ' LYS . 16.3 mt -82.45 -53.86 5.65 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.911 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 31.7 mtt -56.64 -29.93 62.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.861 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 68.2 mt-30 -78.16 -56.77 4.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.886 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -62.56 -17.63 60.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.893 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -51.69 167.05 0.11 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.81 -179.757 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 2.2 m -90.16 -25.51 5.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.149 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.449 ' HB3' HG12 ' A' ' 92' ' ' VAL . 21.8 mm-40 -93.48 128.15 39.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.88 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 16.2 m -71.63 -23.63 61.73 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.912 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.449 HG12 ' HB3' ' A' ' 90' ' ' GLU . 7.6 p -55.55 -24.76 16.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.121 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 11.3 m95 -74.09 -32.81 63.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.941 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 8.4 m-80 -60.05 -38.43 82.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.875 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 17.6 mtm -72.63 -36.27 67.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -56.79 -42.81 80.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.02 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.799 ' CZ ' HD11 ' A' ' 101' ' ' LEU . 23.5 t80 -58.59 -48.94 79.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.911 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 44.5 t0 -61.67 -37.88 85.71 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.854 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 31.6 t80 -56.95 -48.32 78.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.452 ' HA ' HG22 ' A' ' 59' ' ' VAL . 10.9 mt -64.61 -40.26 88.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.088 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.799 HD11 ' CZ ' ' A' ' 97' ' ' PHE . 18.2 mt -66.91 -36.02 81.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.915 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -59.45 -24.62 63.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.918 179.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 15.3 m-80 -98.76 -41.94 7.44 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.966 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.414 HG21 ' HB2' ' A' ' 62' ' ' CYS . 79.9 t -72.42 -58.72 4.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.107 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.817 ' HA ' HD23 ' A' ' 108' ' ' LEU . 13.3 mm-40 -48.87 -28.79 4.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.946 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 4.7 t -71.99 -55.01 14.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.069 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.798 HG11 HG22 ' A' ' 63' ' ' THR . 5.3 p -66.45 -26.0 36.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.154 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.856 HD21 ' HA ' ' A' ' 115' ' ' THR . 0.1 OUTLIER -74.06 -38.76 63.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.894 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . 0.407 ' N ' ' HG ' ' A' ' 108' ' ' LEU . 17.9 mt-30 -66.44 -41.06 89.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 50.8 mt-30 -63.55 -15.84 59.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 51.7 m -95.65 -58.98 1.97 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.149 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . 0.757 ' CE2' HD11 ' A' ' 71' ' ' LEU . 7.5 m-85 -104.77 -43.0 5.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.943 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 110.43 -14.55 30.27 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.48 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.597 ' O ' HD11 ' A' ' 108' ' ' LEU . 0.8 OUTLIER -93.56 -174.51 3.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.002 0.429 . . . . 0.0 110.848 -179.78 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . 0.856 ' HA ' HD21 ' A' ' 108' ' ' LEU . 76.4 p -152.62 178.94 9.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.102 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.697 HD11 ' HA ' ' A' ' 75' ' ' ASP . 0.1 OUTLIER -91.75 140.93 29.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.23 95.83 10.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.913 179.826 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.52 HG11 ' HZ ' ' A' ' 97' ' ' PHE . 3.9 m -118.49 90.92 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.124 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.112 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 207' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.781 0.324 . . . . 0.0 110.876 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 208' ' ' SER . . . . . . . . . . . . . 1.2 t -179.2 158.12 0.87 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.946 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 209' ' ' PHE . . . . . 0.479 ' CD1' HD11 ' A' ' 47' ' ' ILE . 73.3 t80 -80.73 -34.35 34.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.875 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 210' ' ' PHE . . . . . . . . . . . . . 32.5 m-85 -70.03 -25.83 63.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.875 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 211' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -75.74 -47.22 26.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.854 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 212' ' ' LYS . . . . . . . . . . . . . 1.3 pttp -67.94 -26.42 65.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 213' ' ' LYS . . . . . . . . . . . . . 15.0 tppt? -79.51 -54.23 6.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.936 179.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 214' ' ' ARG . . . . . . . . . . . . . 30.9 ptt180 -53.61 -28.2 31.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 215' ' ' SER . . . . . . . . . . . . . 3.4 t -74.51 -35.21 63.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.899 -179.815 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 216' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -55.03 -57.21 12.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.878 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 217' ' ' ARG . . . . . . . . . . . . . 15.4 ptp180 -57.21 -44.98 84.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.817 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 218' ' ' ILE . . . . . . . . . . . . . 56.3 mt -63.92 -24.96 37.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.177 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 219' ' ' SER . . . . . . . . . . . . . 11.1 t -94.19 141.91 28.01 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.82 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 220' ' ' ASN . . . . . . . . . . . . . 9.0 m120 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.9 -179.99 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.853 0.358 . . . . 0.0 111.129 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.591 ' HB1' ' HD2' ' A' ' 25' ' ' PRO . . . -113.81 160.39 32.23 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.586 0.708 . . . . 0.0 111.105 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.591 ' HD2' ' HB1' ' A' ' 24' ' ' ALA . 53.7 Cg_endo -69.83 97.05 0.62 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.735 2.29 . . . . 0.0 112.327 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.529 ' ND2' HG22 ' A' ' 31' ' ' VAL . 1.5 m120 -124.9 135.38 52.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.934 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.498 HD21 HD21 ' A' ' 40' ' ' LEU . 13.0 tp -103.6 112.36 25.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.934 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.628 ' HB2' ' HB3' ' B' ' 210' ' ' PHE . . . 56.46 26.14 10.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.134 179.771 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 95.04 13.03 54.37 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.559 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.599 ' HB2' HD11 ' A' ' 39' ' ' LEU . . . -107.43 116.73 32.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.889 0.375 . . . . 0.0 111.058 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.529 HG22 ' ND2' ' A' ' 26' ' ' ASN . 19.3 t -94.62 -34.16 5.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.11 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.748 ' O ' HG23 ' A' ' 36' ' ' VAL . 41.6 mt-10 -75.75 144.85 41.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 41.0 t80 -58.72 -53.17 61.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.892 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 79.9 p -51.95 -36.36 49.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.857 -179.822 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 43.5 t0 -74.42 -30.56 61.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.844 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.748 HG23 ' O ' ' A' ' 32' ' ' GLU . 95.0 t -71.58 -54.93 15.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.148 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.737 ' HA ' HD12 ' A' ' 40' ' ' LEU . 5.9 pttt -57.66 -31.03 65.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.897 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 55.1 m -65.63 -42.78 91.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.114 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.599 HD11 ' HB2' ' A' ' 30' ' ' ALA . 9.7 mt -68.13 -32.95 73.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.932 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.737 HD12 ' HA ' ' A' ' 37' ' ' LYS . 11.8 mt -72.23 -48.86 39.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.931 179.867 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.724 ' HA ' HD13 ' A' ' 84' ' ' LEU . 11.5 ttpt -52.68 -41.75 64.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.912 179.793 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.778 ' O ' HG22 ' A' ' 46' ' ' THR . 12.2 pt-20 -77.27 -41.86 39.32 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.906 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.525 ' HD1' HD13 ' A' ' 47' ' ' ILE . 33.4 t90 -63.94 -14.79 56.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.874 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.49 HG22 ' O ' ' A' ' 44' ' ' ILE . 33.8 mt -103.27 -9.86 9.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.089 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.576 HG23 ' O ' ' A' ' 41' ' ' LYS . 77.9 p -108.21 -56.05 2.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.16 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.778 HG22 ' O ' ' A' ' 42' ' ' GLU . 12.7 t -66.12 -17.74 64.9 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.183 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.589 HD11 ' CD1' ' B' ' 209' ' ' PHE . 3.2 mt -126.99 128.23 70.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.128 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 36.6 m -106.95 -28.1 10.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.809 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -111.8 79.99 2.78 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-O 121.571 0.7 . . . . 0.0 110.831 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 150.46 68.26 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.71 2.273 . . . . 0.0 112.351 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 49.4 mtm -101.82 156.91 17.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.843 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -51.79 -30.59 23.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.898 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -71.89 -48.32 46.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -58.22 -44.2 88.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.901 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 29.2 mt -71.81 -37.94 63.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.168 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.408 HD23 ' HA ' ' A' ' 56' ' ' LEU . 8.7 mt -58.3 -41.23 83.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.935 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 19.1 mm-40 -54.25 -31.37 53.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.9 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 13.1 t -72.77 -35.04 48.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.143 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.597 HG22 ' HA ' ' A' ' 100' ' ' ILE . 87.4 t -63.69 -51.49 69.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.082 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 24.5 mmm180 -60.06 -25.96 65.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.831 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.531 ' OH ' HG21 ' A' ' 36' ' ' VAL . 72.7 t80 -75.5 -52.27 11.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.93 -179.79 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 86.9 m -67.5 -45.45 75.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.859 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.534 HG22 HG11 ' A' ' 107' ' ' VAL . 42.0 p -56.23 -27.06 53.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.152 -179.832 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -73.56 -34.59 65.22 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.8 HD23 ' HB2' ' A' ' 74' ' ' LEU . 1.1 mp -58.57 -33.37 69.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.939 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.663 HD13 HG13 ' A' ' 107' ' ' VAL . 3.6 mt -65.24 -49.64 77.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.103 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -73.9 -23.91 59.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.954 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 45.8 mm-40 -90.68 -9.64 46.07 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.824 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 64.0 42.48 5.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 45.2 m-20 -116.25 36.31 4.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.869 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.536 HD11 ' CZ ' ' A' ' 112' ' ' TYR . 22.9 mt -57.05 -18.47 14.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.882 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 68.0 tt0 -50.24 -54.69 19.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.859 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.785 ' HE2' HD11 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -79.12 -22.76 44.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.874 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.8 ' HB2' HD23 ' A' ' 65' ' ' LEU . 44.6 tp -53.92 -55.99 21.85 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.95 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -58.31 -27.66 64.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.901 179.786 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.604 HD12 ' HA ' ' A' ' 73' ' ' LYS . 43.2 mt -76.72 -44.58 32.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.925 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.585 HG12 ' CE ' ' A' ' 81' ' ' MET . 92.8 t -69.92 -40.08 78.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.126 179.869 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.5 HD13 ' CE ' ' A' ' 81' ' ' MET . 30.5 mm -64.99 -54.14 33.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.053 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.451 ' HA ' ' HG2' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -63.63 -25.26 68.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.878 179.87 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.676 ' CE1' HD11 ' A' ' 84' ' ' LEU . 37.5 t80 -80.37 -43.77 20.55 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.585 ' CE ' HG12 ' A' ' 77' ' ' VAL . 14.3 ptp -74.22 -32.35 62.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.451 ' HG2' ' HA ' ' A' ' 79' ' ' LYS . 0.0 OUTLIER -70.82 -31.99 68.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.858 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 1.8 ptm180 -71.45 -28.54 64.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.876 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.724 HD13 ' HA ' ' A' ' 41' ' ' LYS . 17.0 mt -82.59 -53.96 5.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 22.1 mtt -57.54 -26.08 60.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 65.4 mt-30 -81.9 -42.07 20.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.867 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -83.81 1.96 40.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.888 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 95.9 p -62.44 -178.07 0.17 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.803 -179.737 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 3.1 p -99.78 -31.65 3.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.201 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.512 ' HB3' HG22 ' A' ' 92' ' ' VAL . 52.6 mm-40 -93.14 135.37 34.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.866 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.7 p -71.38 -24.71 62.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.89 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.512 HG22 ' HB3' ' A' ' 90' ' ' GLU . 19.1 m -58.93 -23.97 25.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.197 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 6.2 m95 -69.19 -35.44 76.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.932 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -56.88 -39.91 75.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.88 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 14.2 mtm -72.52 -34.61 67.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 179.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -53.56 -46.9 70.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.049 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.809 ' CZ ' HD11 ' A' ' 101' ' ' LEU . 21.4 t80 -59.52 -40.06 85.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.876 -179.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -67.01 -36.31 81.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.873 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 29.0 t80 -57.96 -47.83 81.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.904 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.597 ' HA ' HG22 ' A' ' 59' ' ' VAL . 6.9 mt -64.25 -39.71 86.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.142 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.809 HD11 ' CZ ' ' A' ' 97' ' ' PHE . 21.0 mt -68.87 -34.26 75.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.922 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -60.39 -28.77 68.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.872 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 38.3 m-80 -98.36 -36.89 9.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.513 HG23 ' O ' ' A' ' 100' ' ' ILE . 76.6 t -74.7 -60.03 2.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.184 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.835 ' HA ' HD23 ' A' ' 108' ' ' LEU . 17.1 mm-40 -49.24 -29.52 5.86 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.92 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 3.4 t -69.81 -53.74 22.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.155 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.663 HG13 HD13 ' A' ' 66' ' ' ILE . 7.1 p -68.62 -25.14 30.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.149 179.855 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.884 HD21 ' HA ' ' A' ' 115' ' ' THR . 0.1 OUTLIER -74.12 -39.37 63.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.88 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . 0.406 ' N ' ' HG ' ' A' ' 108' ' ' LEU . 15.3 mt-30 -66.1 -41.01 91.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.93 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 44.7 mt-30 -64.66 -14.67 59.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.865 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 72.8 m -95.39 -59.84 1.79 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.144 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . 0.536 ' CZ ' HD11 ' A' ' 71' ' ' LEU . 5.4 m-85 -104.43 -42.76 5.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 111.26 -14.33 28.18 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.523 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.594 ' O ' HD11 ' A' ' 108' ' ' LEU . 1.2 t -94.5 -172.53 2.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.943 0.401 . . . . 0.0 110.876 -179.827 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . 0.884 ' HA ' HD21 ' A' ' 108' ' ' LEU . 72.4 p -152.51 178.93 9.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.186 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -77.46 155.34 31.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.935 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -112.66 99.2 7.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.91 179.869 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.403 ' O ' HG23 ' A' ' 118' ' ' VAL . 6.4 m -113.48 111.25 35.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.099 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 7.9 t . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.15 179.968 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 207' ' ' LYS . . . . . . . . . . . . . 3.5 tppp? . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.787 0.327 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 208' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -179.93 160.58 0.89 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.843 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 209' ' ' PHE . . . . . 0.589 ' CD1' HD11 ' A' ' 47' ' ' ILE . 73.4 t80 -67.58 -58.2 5.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.969 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 210' ' ' PHE . . . . . 0.628 ' HB3' ' HB2' ' A' ' 28' ' ' ALA . 64.7 m-85 -58.5 -25.22 62.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.931 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 211' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -75.77 -44.41 41.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.862 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 212' ' ' LYS . . . . . . . . . . . . . 21.0 ptmt -76.19 -22.66 55.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.86 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 213' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.94 -44.32 13.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.947 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 214' ' ' ARG . . . . . . . . . . . . . 18.0 ptp180 -62.55 -33.07 74.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.861 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 215' ' ' SER . . . . . 0.803 ' HA ' HD12 ' B' ' 218' ' ' ILE . 0.3 OUTLIER -52.36 -49.53 64.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.849 -179.808 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 216' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -65.58 -33.26 75.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.85 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 217' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.2 -41.62 76.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.893 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 218' ' ' ILE . . . . . 0.803 HD12 ' HA ' ' B' ' 215' ' ' SER . 10.4 mt -56.14 -39.65 60.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.137 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 219' ' ' SER . . . . . . . . . . . . . 26.0 t -72.56 135.19 45.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 220' ' ' ASN . . . . . . . . . . . . . 15.8 p30 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.886 -179.944 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.075 0 CA-C-O 120.746 0.308 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.578 ' HB1' ' HD2' ' A' ' 25' ' ' PRO . . . -70.61 160.5 81.44 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.548 0.69 . . . . 0.0 111.099 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.578 ' HD2' ' HB1' ' A' ' 24' ' ' ALA . 52.9 Cg_endo -69.82 92.17 0.52 Allowed 'Trans proline' 0 N--CA 1.465 -0.193 0 C-N-CA 122.711 2.274 . . . . 0.0 112.314 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.504 ' CG ' HG22 ' A' ' 31' ' ' VAL . 1.6 m120 -125.71 143.71 50.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.943 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.471 HD21 HD21 ' A' ' 40' ' ' LEU . 11.6 tp -96.43 105.75 17.88 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.936 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.679 ' HB1' ' HB3' ' B' ' 214' ' ' ARG . . . 56.51 41.02 29.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.142 179.784 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 87.16 0.28 85.3 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.476 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.546 ' HB2' HD11 ' A' ' 39' ' ' LEU . . . -91.19 109.85 21.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.85 0.357 . . . . 0.0 111.119 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.504 HG22 ' CG ' ' A' ' 26' ' ' ASN . 23.3 t -92.11 -41.11 12.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.16 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.456 ' O ' HG23 ' A' ' 36' ' ' VAL . 50.5 mm-40 -70.72 133.91 47.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.92 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 46.9 t80 -52.12 -49.54 63.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.916 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.78 -37.68 52.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.812 -179.805 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -74.58 -29.62 61.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.879 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.456 HG23 ' O ' ' A' ' 32' ' ' GLU . 92.0 t -72.18 -55.32 13.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.136 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.5 ' HA ' HD12 ' A' ' 40' ' ' LEU . 6.7 pttt -57.87 -31.83 67.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.824 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 53.1 m -67.42 -39.4 85.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.17 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.546 HD11 ' HB2' ' A' ' 30' ' ' ALA . 14.4 mt -67.31 -37.81 83.95 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.936 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.5 HD12 ' HA ' ' A' ' 37' ' ' LYS . 8.9 mt -72.02 -44.94 62.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.726 ' HA ' HD13 ' A' ' 84' ' ' LEU . 8.2 ttpt -52.77 -43.65 65.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.955 179.769 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.786 ' O ' HG22 ' A' ' 46' ' ' THR . 13.8 pt-20 -77.37 -40.83 42.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.847 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.487 ' HD1' HD13 ' A' ' 47' ' ' ILE . 35.5 t90 -63.52 -15.06 56.87 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.898 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.455 HG22 ' O ' ' A' ' 44' ' ' ILE . 34.9 mt -102.52 -13.08 8.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.137 179.879 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.593 HG23 ' O ' ' A' ' 41' ' ' LYS . 76.5 p -103.81 -55.67 2.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.147 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.786 HG22 ' O ' ' A' ' 42' ' ' GLU . 13.2 t -68.07 -16.84 64.19 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.133 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.564 HD12 HG23 ' A' ' 46' ' ' THR . 3.2 mt -129.03 125.44 62.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.178 179.861 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -106.87 -26.07 11.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.857 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 89.7 m-20 -114.11 80.07 5.34 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.612 0.72 . . . . 0.0 110.813 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.83 158.31 57.29 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.648 2.232 . . . . 0.0 112.353 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 69.6 mtm -105.13 172.23 6.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.888 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.516 ' O ' HD23 ' A' ' 56' ' ' LEU . 6.9 tt0 -61.74 -62.0 2.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.867 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 13.6 mp0 -51.66 -30.58 22.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.882 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -68.68 -47.04 67.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.842 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 59.0 mt -71.64 -41.29 71.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.164 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.516 HD23 ' O ' ' A' ' 52' ' ' GLU . 4.0 mm? -52.33 -40.75 62.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.878 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -54.1 -32.57 55.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.972 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 13.8 t -73.31 -35.01 45.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.151 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.597 HG22 ' HA ' ' A' ' 100' ' ' ILE . 89.8 t -65.66 -51.24 64.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.167 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 13.3 mmt180 -58.77 -25.61 63.23 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.877 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 69.3 t80 -75.37 -52.0 11.8 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.957 -179.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 88.7 m -67.72 -46.25 72.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.883 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.584 HG23 HG22 ' A' ' 104' ' ' VAL . 36.8 p -55.74 -26.02 43.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.146 -179.848 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -73.61 -38.11 65.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.598 HD23 ' HB2' ' A' ' 74' ' ' LEU . 1.7 mp -54.83 -33.84 62.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.877 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.666 HD13 HG13 ' A' ' 107' ' ' VAL . 3.5 mt -63.42 -46.9 94.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.083 179.843 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 56.3 mm-40 -74.26 -32.41 62.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.877 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -83.42 -8.54 59.37 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.938 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 3.8 mmmm 64.15 39.88 7.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.891 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -113.11 36.59 3.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.82 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.448 HD11 ' CZ ' ' A' ' 112' ' ' TYR . 37.0 mt -53.83 -23.39 12.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.971 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -50.51 -48.51 57.02 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.901 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.736 ' HA ' HD12 ' A' ' 76' ' ' LEU . 7.0 mtpt -78.9 -22.79 45.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.914 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.598 ' HB2' HD23 ' A' ' 65' ' ' LEU . 28.2 tp -57.9 -59.92 4.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.919 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.65 ' HA ' HD21 ' A' ' 116' ' ' LEU . 1.1 t70 -54.98 -26.43 36.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.818 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.736 HD12 ' HA ' ' A' ' 73' ' ' LYS . 54.1 mt -76.9 -52.27 9.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.573 HG12 ' CE ' ' A' ' 81' ' ' MET . 89.5 t -65.7 -34.51 70.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.156 179.812 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.818 HG21 HD22 ' A' ' 116' ' ' LEU . 31.0 mm -70.27 -54.79 17.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.133 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.462 ' HA ' ' HG2' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -63.85 -25.14 68.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 179.848 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.677 ' CE1' HD11 ' A' ' 84' ' ' LEU . 38.0 t80 -81.0 -43.38 19.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.958 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.573 ' CE ' HG12 ' A' ' 77' ' ' VAL . 12.8 ptp -74.37 -32.01 62.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.909 179.84 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.462 ' HG2' ' HA ' ' A' ' 79' ' ' LYS . 0.0 OUTLIER -71.43 -32.21 68.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 2.3 ptm180 -70.77 -29.84 66.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.901 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.726 HD13 ' HA ' ' A' ' 41' ' ' LYS . 15.9 mt -82.15 -55.77 4.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.901 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 28.4 mtt -54.42 -26.61 31.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.94 179.806 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 59.1 mt-30 -79.1 -42.77 25.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.87 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -84.92 3.04 40.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.91 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.92 177.13 0.81 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.884 -179.768 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 3.4 p -95.71 -32.73 4.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.157 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.792 ' HB3' HG12 ' A' ' 92' ' ' VAL . 69.7 mm-40 -91.8 116.58 29.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.83 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.6 p -56.55 -25.02 50.86 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.872 -179.794 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.792 HG12 ' HB3' ' A' ' 90' ' ' GLU . 11.0 p -55.88 -29.07 25.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.157 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' TRP . . . . . . . . . . . . . 5.6 m95 -62.95 -35.03 78.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.878 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 15.0 m-80 -57.56 -42.3 82.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.917 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 15.7 mtm -72.56 -31.57 65.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.862 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -58.38 -44.48 88.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.092 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.78 ' CZ ' HD11 ' A' ' 101' ' ' LEU . 26.2 t80 -60.81 -43.93 97.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.92 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -62.48 -38.36 89.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.815 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 21.8 t80 -56.72 -48.5 77.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.597 ' HA ' HG22 ' A' ' 59' ' ' VAL . 7.8 mt -61.38 -42.26 93.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.101 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.78 HD11 ' CZ ' ' A' ' 97' ' ' PHE . 24.4 mt -67.96 -33.89 75.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.862 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -60.14 -29.34 68.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.917 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 16.8 m-80 -98.2 -36.82 9.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.834 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.584 HG22 HG23 ' A' ' 63' ' ' THR . 87.7 t -74.31 -60.31 2.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.189 179.865 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.834 ' HA ' HD23 ' A' ' 108' ' ' LEU . 17.7 mm-40 -49.28 -29.56 6.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.934 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 3.4 t -69.96 -53.1 25.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.162 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.666 HG13 HD13 ' A' ' 66' ' ' ILE . 7.7 p -68.97 -24.79 28.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.11 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.887 HD21 ' HA ' ' A' ' 115' ' ' THR . 0.1 OUTLIER -73.85 -39.17 64.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.925 179.964 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . 0.407 ' N ' ' HG ' ' A' ' 108' ' ' LEU . 27.8 mt-30 -65.61 -41.25 92.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.936 179.887 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 51.4 mt-30 -64.2 -15.06 59.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.922 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 65.9 m -95.5 -59.11 1.95 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.206 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' TYR . . . . . 0.448 ' CZ ' HD11 ' A' ' 71' ' ' LEU . 8.2 m-85 -105.06 -42.84 5.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.849 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 110.87 -14.54 29.1 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.529 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.6 ' O ' HD11 ' A' ' 108' ' ' LEU . 99.9 p -94.72 -172.78 2.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.949 0.404 . . . . 0.0 110.847 -179.727 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . 0.887 ' HA ' HD21 ' A' ' 108' ' ' LEU . 69.1 p -152.42 -177.63 6.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.136 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.818 HD22 HG21 ' A' ' 78' ' ' ILE . 0.1 OUTLIER -93.75 155.01 17.46 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.909 179.948 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.5 98.13 7.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.949 179.819 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.404 HG23 ' O ' ' A' ' 118' ' ' VAL . 4.2 m -118.55 94.09 2.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.155 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.15 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 207' ' ' LYS . . . . . . . . . . . . . 7.5 ttpp . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.828 0.347 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 208' ' ' SER . . . . . . . . . . . . . 10.8 p -175.02 154.83 1.88 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 209' ' ' PHE . . . . . 0.504 ' CD1' HD11 ' A' ' 47' ' ' ILE . 71.0 t80 -64.25 -49.15 73.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.889 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 210' ' ' PHE . . . . . . . . . . . . . 56.5 m-85 -59.95 -27.02 66.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.822 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 211' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -72.18 -44.99 62.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 212' ' ' LYS . . . . . . . . . . . . . 8.4 pttt -76.17 -20.43 57.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.869 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 213' ' ' LYS . . . . . . . . . . . . . 1.6 tppt? -88.73 -38.23 14.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.923 179.827 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 214' ' ' ARG . . . . . 0.679 ' HB3' ' HB1' ' A' ' 28' ' ' ALA . 0.2 OUTLIER -73.35 -25.44 60.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.846 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 215' ' ' SER . . . . . . . . . . . . . 38.8 p -78.18 -25.8 47.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.877 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 216' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -67.95 -49.11 63.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.837 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 217' ' ' ARG . . . . . . . . . . . . . 12.8 ptm180 -63.56 -25.87 68.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.881 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 218' ' ' ILE . . . . . . . . . . . . . 60.8 mt -84.69 -62.92 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.116 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 219' ' ' SER . . . . . . . . . . . . . 10.3 p -175.05 143.04 0.68 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.847 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 220' ' ' ASN . . . . . . . . . . . . . 10.6 p-10 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.863 -179.954 . . . . . . . . 0 0 . 1 stop_ save_