data_2mcq_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 2mcq _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 ' 4' ' ' SER . . . . . . . . . . . . . 73.9 m . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.855 0.36 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -68.72 -23.86 64.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.1 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -70.03 -19.93 63.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.876 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -88.22 -23.3 23.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.843 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 16.9 tp -51.18 -33.44 27.23 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.917 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -71.11 -39.57 71.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.904 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 16.5 tptt -51.13 -29.78 14.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.895 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.1 mp -78.94 -44.95 24.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.148 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 13.0 mt -63.31 -16.2 59.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -72.68 -25.2 61.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.864 179.838 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.1 mmtm -48.42 -46.42 37.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.922 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -110.74 -24.11 10.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.877 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 -132.67 74.94 74.07 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.697 0.76 . . . . 0.0 110.928 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.85 -50.45 0.45 Allowed 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.639 2.226 . . . . 0.0 112.344 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.9 m -67.01 -25.89 66.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.876 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -50.8 152.05 2.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.823 -179.802 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 60.0 t -98.93 104.52 16.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.114 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 4.3 mp -95.96 132.54 39.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.107 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.3 tppt? -148.56 136.34 20.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.856 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 5.4 mp -107.45 143.26 18.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.13 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 87.5 m -139.4 140.48 37.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.118 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -86.95 129.17 34.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 13.6 mt -100.43 -39.65 7.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.935 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 6.7 m -116.65 -26.81 2.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.141 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 56.84 34.52 65.32 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.494 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 78.9 m-20 -132.33 -58.31 0.94 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.776 0.322 . . . . 0.0 110.826 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -97.95 -175.74 3.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.895 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -77.6 64.62 2.95 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 11.1 t-160 -116.68 101.24 8.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.811 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -107.92 127.75 54.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.913 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -91.62 101.71 14.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.086 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -79.89 139.06 37.27 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.916 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -133.33 108.3 8.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.83 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -106.27 135.03 46.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.136 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -134.79 124.64 25.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -171.48 -175.39 1.6 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.837 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -110.33 24.93 12.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.113 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -109.86 -15.55 14.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.879 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -95.16 24.38 5.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.875 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 10.4 m-80 -92.55 120.76 33.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.846 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 102.95 -24.67 29.88 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.477 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 9.6 mt -71.07 165.28 23.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.792 0.329 . . . . 0.0 110.976 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 37.1 t -100.16 165.94 11.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.842 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -56.04 -25.41 44.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.901 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 49.3 mm -81.59 -41.04 18.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.17 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 24.3 m-20 -69.07 -40.53 78.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.901 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -66.66 -39.45 88.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.913 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 8.3 t-80 -75.68 -27.54 58.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 19.9 ttmt -80.74 -42.02 22.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.882 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 12.4 mt -51.09 -55.05 19.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.886 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 24.4 m -52.14 -33.25 16.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.123 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 5.7 mmpt? -80.21 -28.95 38.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.903 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 25.6 m-20 -78.03 -34.99 50.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.886 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.3 -16.77 56.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.105 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.7 pp -118.1 -5.35 10.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 43.6 t -90.11 -3.43 57.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -105.8 -44.26 4.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.872 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 5.0 mt -91.86 -19.66 6.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.134 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.2 mm? 57.85 40.3 26.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.924 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 18.2 m-20 -59.63 -51.4 69.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.934 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.98 155.52 29.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.892 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 17.4 mmmt -59.29 172.73 0.58 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.895 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 10.1 mp -94.09 115.0 27.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.906 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 32.7 m170 -138.32 -178.35 5.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.841 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 5.3 m -120.75 124.82 46.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.859 -179.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 19.5 pt -151.57 169.51 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.168 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 41.9 t -81.76 130.51 35.09 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.832 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 10.6 mt -121.92 101.7 10.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.121 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 58.8 tttt -85.18 137.45 33.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.873 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 27.9 p -104.61 130.93 52.54 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.151 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 5.3 mp -133.35 133.24 57.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.114 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 76.1 p . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.877 -179.954 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 38.3 m . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.885 0.374 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.67 -25.65 63.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.06 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -66.16 -24.04 66.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.922 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 10.6 tm-20 -79.45 -23.95 42.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.89 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 39.7 tp -51.75 -36.2 46.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.89 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -72.51 -32.76 66.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.926 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 17.7 tptp -52.16 -29.37 21.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.839 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 5.4 mp -84.2 -31.07 7.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.09 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 32.4 mt -83.73 -9.96 58.47 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 11.8 mtpt -79.5 -25.06 41.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.868 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 15.5 mmtt -52.97 -47.3 68.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -107.81 -30.92 8.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -118.34 67.54 6.97 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.628 0.728 . . . . 0.0 110.914 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 -50.05 0.5 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.688 2.259 . . . . 0.0 112.325 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.7 m -68.35 -27.03 65.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.856 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.3 p -60.27 146.48 43.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.853 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 67.9 t -93.06 108.13 19.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.137 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 4.6 mp -94.4 127.28 46.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.134 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 5.1 ttmm -142.59 139.7 31.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.853 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 4.9 mp -106.59 146.28 13.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.149 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.3 m -119.9 135.25 54.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.146 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -97.73 89.86 4.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.905 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 10.6 mt -111.07 -24.17 10.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.97 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 98.9 t -76.63 -74.22 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.129 179.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 123.4 70.28 0.23 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.481 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 15.9 t0 66.37 73.73 0.36 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.782 0.325 . . . . 0.0 110.903 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -159.38 163.69 35.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.869 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -57.79 -24.33 56.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.87 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 10.5 t60 -77.72 136.96 38.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.862 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -151.44 151.55 31.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -98.82 106.49 18.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.055 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 19.8 tp -101.26 114.46 28.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.952 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -112.04 115.72 29.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.913 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 17.2 tt -112.84 144.57 20.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.108 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 6.6 m -126.11 101.78 6.93 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -130.15 155.86 45.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.876 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -95.05 23.99 5.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.104 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 12.8 mt-30 -108.25 -18.16 13.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.923 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -95.67 26.86 3.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.904 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 51.1 m-20 -86.87 56.25 3.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.874 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 158.35 -22.08 0.35 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.447 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 45.8 mt -62.98 176.06 0.77 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.869 0.366 . . . . 0.0 110.863 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -104.8 158.57 16.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.912 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -52.22 -30.24 26.49 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.878 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 51.1 mm -76.57 -47.66 28.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.127 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 32.7 m-20 -61.77 -39.61 92.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.924 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -65.55 -43.54 89.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.876 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -72.37 -26.29 61.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.854 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 14.8 ttmt -80.34 -44.67 19.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.909 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 25.6 mt -51.57 -54.58 25.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.947 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 20.3 m -52.49 -33.46 17.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.099 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 5.7 mmpt? -80.03 -28.29 39.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.929 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 33.0 m-20 -77.71 -39.51 44.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.863 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.03 -19.87 54.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.124 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 4.5 pp -108.96 -23.48 11.69 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.918 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 28.0 t -82.45 -26.49 32.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.898 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -89.96 -32.6 16.74 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.85 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 26.2 mm -89.36 -15.61 8.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.135 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.3 mm? 57.84 32.34 21.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 13.4 m-20 -74.91 -25.56 59.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.904 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.68 153.18 1.75 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.882 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.4 mmmp? -126.77 78.65 1.81 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.895 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -69.78 147.14 50.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.918 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 18.3 t-160 -64.44 -62.41 1.61 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 21.4 p -178.99 120.18 0.08 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.854 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 20.9 pt -135.77 166.83 26.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.173 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 41.6 t -80.11 122.23 26.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.832 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 17.6 mt -113.39 110.28 31.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.095 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 56.0 tttt -91.22 141.04 29.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.885 179.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 19.7 p -105.18 125.92 51.51 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.104 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 5.4 mp -130.49 130.1 64.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.109 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 9.1 p . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.91 -179.904 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 35.0 m . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.882 0.372 . . . . 0.0 110.846 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -54.5 -28.19 43.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.055 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 18.6 pt-20 -61.33 -20.06 62.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.896 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 14.2 tp10 -80.11 -31.37 39.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.865 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 49.6 tp -73.63 -37.17 65.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.911 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -69.31 -32.73 72.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.873 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 36.8 mmtt -50.08 -31.35 12.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.6 mp -70.89 -68.87 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.086 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 59.7 mt -52.41 -32.3 38.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.935 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.9 mtpt -53.57 -27.45 26.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.907 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 16.6 mmtm -52.45 -38.78 60.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 29.1 t -109.91 -48.12 3.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.827 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -112.9 75.97 2.11 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.588 0.709 . . . . 0.0 110.854 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 -47.8 0.86 Allowed 'Trans proline' 0 C--O 1.231 0.138 0 C-N-CA 122.685 2.257 . . . . 0.0 112.334 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.3 p -64.59 -27.36 68.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.861 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -51.85 158.38 1.02 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.896 -179.822 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 95.8 t -98.99 94.96 3.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.167 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 3.7 mp -90.26 109.84 21.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.139 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.1 ttmm -133.33 151.26 51.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 5.3 mp -114.1 134.83 55.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.095 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 87.7 m -133.0 142.07 48.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.14 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 16.5 p-10 -79.56 131.75 36.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 10.4 mt -96.22 -54.86 3.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.897 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 6.6 m -115.81 -39.25 2.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.114 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 72.73 39.61 55.04 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.471 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -117.75 -38.58 3.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.697 0.284 . . . . 0.0 110.862 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 2.0 pp0? -123.83 34.02 5.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 62.55 47.71 4.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 2.9 t-80 -69.68 135.85 50.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 26.8 m-85 -128.65 124.1 34.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.915 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -99.11 100.11 11.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.077 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 24.6 tp -80.63 105.55 11.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -102.21 128.28 48.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.3 tt -122.57 124.11 69.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.156 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.9 t -120.47 111.74 18.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.853 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -152.61 174.45 13.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.863 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -99.76 24.98 7.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.132 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -111.01 -15.92 13.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.861 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -95.55 26.01 4.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 27.8 m-80 -96.69 123.94 40.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.887 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 92.58 15.89 51.23 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.486 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 14.8 mt -111.4 175.95 5.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.843 0.354 . . . . 0.0 110.919 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 23.2 t -106.77 175.44 5.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.853 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -63.02 -29.31 70.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.899 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 40.7 mm -82.29 -40.97 17.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.146 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 26.3 m-20 -65.61 -32.67 74.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.879 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 17.1 mt-30 -77.29 -34.32 55.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.913 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -80.41 -29.81 37.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -80.81 -30.31 35.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.863 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 11.3 mt -62.68 -53.93 47.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.927 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 15.7 m -51.13 -36.84 16.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.159 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 7.0 mmpt? -73.56 -34.44 65.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.937 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 -67.52 -45.11 76.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.91 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -57.91 -21.04 41.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.107 179.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 4.0 pp -117.28 21.79 12.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.906 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 11.7 m -90.27 -56.99 3.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.878 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -68.02 -43.39 78.92 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.891 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 4.6 mp -71.75 -49.0 48.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.094 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER 63.91 42.38 6.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.901 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -51.25 -51.37 54.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.881 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 13.6 tppt? -109.22 152.42 25.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.9 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 4.0 mtpm? -128.25 143.9 51.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.923 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.5 mm? 51.66 67.38 0.97 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.886 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 34.4 p-80 -140.31 115.4 9.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.872 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 9.1 t -120.53 119.86 34.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.846 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 30.7 pt -151.42 169.98 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.143 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 2.7 t -80.36 141.97 34.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.86 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 6.5 mt -119.99 108.26 22.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.12 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 9.8 tttp -86.11 134.95 33.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 19.9 p -96.11 123.9 39.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.164 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 4.4 mp -131.6 127.4 59.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.145 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 73.4 p . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.846 -179.92 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 66.7 m . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.881 0.372 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -59.57 -29.87 68.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.041 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -63.23 -23.95 67.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.907 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 15.2 tp10 -85.94 -24.92 26.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.863 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 14.0 tp -64.92 -45.29 86.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -61.21 -33.21 73.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 18.6 mmtp -49.86 -32.18 13.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.0 mp -74.17 -49.32 33.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.108 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 35.9 mt -70.25 -10.94 60.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.892 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.4 mtpt -87.71 -42.86 12.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 35.9 mmtt -53.99 -28.67 39.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.883 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 38.3 t -110.1 -48.45 3.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.824 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -113.28 75.55 2.31 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.629 0.728 . . . . 0.0 110.829 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 -24.63 29.51 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.731 2.287 . . . . 0.0 112.33 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 15.8 t -93.83 18.84 9.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.89 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 9.0 p -111.61 138.44 48.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.836 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 27.0 t -84.01 109.0 16.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.149 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 4.4 mt -95.1 131.11 42.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.143 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.0 tppt? -146.37 138.22 24.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.889 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 5.3 mp -105.61 138.44 30.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.146 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 22.5 m -140.72 135.1 31.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.121 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -89.74 132.27 35.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.865 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 15.2 mt -104.92 -46.24 4.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 26.1 m -128.46 154.29 39.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.168 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -112.5 33.8 5.48 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.484 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -132.29 -45.45 0.92 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.764 0.316 . . . . 0.0 110.889 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -100.61 153.56 19.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.884 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -78.18 60.72 2.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.849 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -104.01 117.84 35.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.823 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -110.16 125.02 52.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.93 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -91.39 102.63 15.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.039 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 51.8 tp -85.5 130.1 34.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.925 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.8 mp0 -120.91 112.02 18.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 11.3 tt -118.9 127.02 75.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.146 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 7.4 t -119.38 99.98 7.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.855 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -127.7 -179.06 4.74 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.892 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -127.06 32.56 5.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.048 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -115.45 -21.85 9.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.909 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 1.4 p90 -61.07 -18.63 58.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 8.6 m-80 -50.95 115.4 1.5 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.868 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 104.9 16.94 15.46 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.445 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 81.7 mt -125.82 179.04 5.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.825 0.345 . . . . 0.0 110.893 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 23.6 t -117.6 174.09 6.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.886 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -57.4 -23.79 51.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.935 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 46.0 mm -80.86 -51.11 16.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.137 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -62.65 -35.46 79.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.869 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 24.9 mt-30 -67.88 -43.68 78.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.948 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -75.72 -25.33 56.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.823 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 17.8 mttm -80.77 -44.31 18.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.918 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 9.5 mt -48.74 -55.04 12.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.905 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 22.4 m -52.59 -32.3 16.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.13 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.4 mmpt? -79.92 -29.81 39.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.868 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 76.5 m-20 -80.05 -28.41 39.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.938 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.93 -13.99 60.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.096 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.2 pp -118.8 -6.21 10.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.909 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 47.1 m -90.14 -30.84 17.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.858 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -94.39 -37.75 11.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.917 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 23.3 mm -76.91 -26.87 16.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.1 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.3 mm? 57.84 55.57 5.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.912 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 92.7 m-20 -91.58 -46.87 7.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.912 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.16 149.88 47.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.886 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.24 154.28 6.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.912 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 8.2 mp -78.28 163.63 25.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.894 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -177.38 175.92 1.39 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 179.822 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 63.4 p -106.63 120.01 40.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.865 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 21.9 pt -151.47 169.96 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.145 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.5 t -88.01 126.2 34.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.849 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 8.8 mt -117.95 116.04 50.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.107 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 5.8 tttt -97.69 135.98 38.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.913 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 19.7 p -99.1 116.01 30.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.134 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 4.9 mp -113.97 147.31 17.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.078 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.6 p . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.872 -179.925 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 40.3 m . . . . . 0 C--O 1.23 0.057 0 CA-C-O 120.893 0.377 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -60.8 -24.88 66.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.153 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -67.86 -24.87 65.29 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.898 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -79.77 -20.77 45.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.872 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 23.1 tp -52.84 -29.73 29.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.905 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -74.86 -33.9 62.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 27.5 mmmt -50.22 -31.23 13.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.939 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.6 mp -72.47 -68.2 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.16 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 18.9 mt -51.86 -33.08 34.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.951 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.0 mtpt -52.46 -29.14 23.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.909 179.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.9 mmmm -58.16 -29.54 65.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.914 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.7 t -110.01 -51.27 2.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.856 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 -112.64 77.04 2.27 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.676 0.75 . . . . 0.0 110.865 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 -50.1 0.49 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.706 2.271 . . . . 0.0 112.315 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.6 m -65.44 -23.33 66.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.838 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.7 m -60.7 170.24 1.53 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.875 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 84.8 t -111.35 95.98 4.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.145 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 6.4 mt -84.5 127.75 39.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.133 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 15.2 ttmm -150.06 154.78 38.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.856 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 4.0 mp -111.82 149.15 14.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.15 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 6.6 m -124.9 139.18 54.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.158 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -90.45 89.76 7.72 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.841 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 28.0 mt -127.12 28.83 5.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.926 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 8.9 t -140.66 156.12 23.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.119 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -90.5 43.55 2.9 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.504 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 22.9 t0 52.86 88.18 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.801 0.334 . . . . 0.0 110.877 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -158.0 46.18 0.35 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 64.22 55.16 1.5 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.881 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 21.0 t60 -160.48 155.83 24.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.866 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 11.7 m-85 -159.63 152.23 21.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -100.05 99.92 10.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.107 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -84.4 140.88 31.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.928 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -138.61 117.14 12.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.85 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 16.8 tt -118.12 143.82 27.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.145 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.6 m -116.98 99.86 7.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.864 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -124.29 171.69 9.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.848 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -127.12 15.52 7.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.134 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 22.6 mt-30 -103.76 -21.52 13.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.911 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 1.3 p90 -58.27 -21.81 50.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.893 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 12.9 m-80 -51.12 109.45 0.33 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.915 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 116.08 -12.85 16.94 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.49 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 80.0 mt -94.66 173.08 7.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.818 0.342 . . . . 0.0 110.968 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 19.8 t -106.41 167.03 10.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.835 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -55.61 -25.73 40.29 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.951 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 50.7 mm -81.87 -42.35 19.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.14 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 -65.22 -38.55 90.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 15.4 mt-30 -65.65 -39.64 91.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.873 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 5.3 t-80 -80.05 -24.67 40.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 16.5 mttm -80.19 -45.14 18.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.904 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 13.0 mt -51.29 -52.76 42.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.928 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 20.6 m -55.54 -32.31 30.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.134 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 5.4 mmpt? -79.99 -28.26 39.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.924 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 82.0 m-20 -79.66 -38.25 34.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.88 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.86 -16.47 58.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.116 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 4.0 pp -113.28 -12.67 13.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 37.8 t -81.96 -25.23 35.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.886 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -93.45 -39.92 10.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.855 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 20.6 mm -76.48 -25.94 16.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.175 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.2 mm? 57.78 38.55 27.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.913 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 14.1 p30 -94.51 38.14 1.11 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.878 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.16 176.99 7.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.928 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 52.9 mtpt -106.75 161.67 14.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.941 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 7.0 mp -60.73 96.16 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.935 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -145.2 -178.44 6.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.87 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 91.1 p -149.94 120.28 7.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.821 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 21.0 pt -133.15 169.7 21.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.172 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.9 t -81.02 138.58 36.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.859 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 7.4 mt -125.88 105.96 15.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.111 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 24.9 tttp -90.25 133.48 34.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.874 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 11.5 p -93.95 121.55 35.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.131 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 4.4 mp -131.11 148.69 32.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.13 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.1 p . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.866 -179.885 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 43.3 m . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.876 0.369 . . . . 0.0 110.831 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -57.68 -26.94 62.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.08 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -66.03 -20.02 66.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.933 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 27.0 tp10 -90.22 -19.85 23.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.917 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 34.7 tp -51.65 -30.11 20.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.887 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -72.41 -43.28 64.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.864 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 8.7 mptt -53.05 -28.51 24.97 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.874 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 10.1 mt -73.04 -57.5 6.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.156 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 20.4 mt -65.34 -19.52 65.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.885 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.8 mtpt -70.45 -20.61 62.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.858 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 26.8 mmtt -53.14 -55.32 25.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.935 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.5 m -103.45 -23.84 13.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.841 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -115.09 71.24 2.77 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.63 0.728 . . . . 0.0 110.881 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -27.11 26.95 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.654 2.236 . . . . 0.0 112.34 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.8 t -99.8 21.12 12.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.837 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -100.37 150.88 22.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.85 -179.838 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 84.2 t -100.53 96.81 5.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.142 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 3.7 mp -81.54 120.58 33.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.155 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.5 tppm? -139.36 138.33 36.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 5.4 mp -94.73 142.69 13.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.131 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 32.8 m -145.55 136.38 24.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.137 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -83.58 128.9 34.88 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 12.2 mt -103.47 -48.08 4.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.896 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 35.4 m -121.69 -34.05 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.138 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 82.2 -64.87 4.18 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.467 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 44.1 m-20 -51.98 -69.02 0.12 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.774 0.321 . . . . 0.0 110.868 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -59.99 156.14 15.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.91 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 29.2 m-20 -79.88 59.52 3.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.841 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 12.9 t60 -116.02 129.73 56.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.859 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 31.6 m-85 -116.95 124.49 49.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.931 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -90.03 103.81 16.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.128 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 21.5 tp -92.6 116.52 29.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.929 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -108.64 116.74 32.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.867 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.9 tt -115.64 136.12 53.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.138 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 17.9 m -129.11 129.49 45.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.855 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -163.65 171.0 16.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.904 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -97.51 32.77 2.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.105 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -116.32 -24.62 7.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -95.8 29.52 2.65 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.863 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 65.8 m-20 -77.92 -25.8 48.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.895 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -120.19 -21.8 3.34 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.454 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -51.2 164.84 0.15 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.839 0.352 . . . . 0.0 110.892 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 28.1 t -102.89 162.68 12.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.874 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -52.09 -38.1 56.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.915 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 48.7 mm -75.45 -45.16 40.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.091 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 11.1 m-20 -58.38 -50.76 72.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.872 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 20.7 mt-30 -54.93 -44.99 74.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.934 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -69.66 -23.5 63.48 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.867 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 23.0 ttmt -80.27 -46.19 16.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.87 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 79.3 mt -51.84 -54.33 30.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.927 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 16.1 m -52.13 -33.33 16.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.112 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 5.6 mmpt? -80.09 -29.43 39.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.898 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 24.0 m-20 -77.1 -37.28 54.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.913 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.84 -19.54 51.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.089 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.8 pp -119.75 10.64 11.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.979 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 31.2 t -90.5 -34.24 15.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.834 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.51 -35.5 15.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 3.3 mt -89.95 -16.71 8.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.125 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.5 mm? 58.32 22.79 9.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 -51.86 -68.28 0.18 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.844 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.5 150.59 6.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.908 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 31.0 mttp -122.35 -34.65 3.25 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.883 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -51.91 169.66 0.07 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.912 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 17.1 t60 -83.69 -61.1 1.92 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.909 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.8 t -156.12 152.35 27.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.86 -179.78 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 11.3 pt -152.82 170.05 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.188 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.3 t -79.96 121.34 25.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.826 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 16.9 mt -113.38 108.61 25.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.133 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 23.3 tttp -88.05 135.17 33.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 28.5 p -100.14 123.89 44.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.116 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 4.7 mp -124.52 117.5 50.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.106 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.1 t . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.844 -179.913 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 31.0 m . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.882 0.372 . . . . 0.0 110.808 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -59.58 -24.51 63.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.114 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -66.36 -24.25 66.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.902 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -86.87 -27.26 23.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.873 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 19.0 tp -52.1 -30.25 25.33 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.908 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -79.41 -33.38 42.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.892 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.3 mmmm -53.41 -28.42 29.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.919 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.3 mp -82.3 -34.03 11.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.157 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 30.4 mt -81.41 -13.88 57.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.904 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 9.8 mtpt -75.59 -23.59 56.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.96 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 42.5 mmtt -51.74 -55.04 22.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.931 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 44.8 t -103.32 -29.88 10.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.843 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -116.14 70.57 4.07 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.696 0.76 . . . . 0.0 110.901 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -50.26 0.48 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.682 2.255 . . . . 0.0 112.354 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.5 m -68.2 -25.66 65.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.833 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -52.09 151.23 3.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.861 -179.814 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 97.3 t -100.92 94.92 3.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.11 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 3.8 mp -83.47 112.3 20.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.127 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.5 tppp? -133.81 136.85 44.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 5.4 mp -94.61 142.9 12.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.086 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 96.7 m -134.88 144.48 47.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.191 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -93.32 107.18 19.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.844 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -103.37 -2.3 27.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.885 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 20.2 m -137.15 163.22 32.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.126 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -86.23 63.79 4.12 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.502 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 24.5 t0 64.18 64.5 0.73 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.771 0.32 . . . . 0.0 110.896 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -108.68 27.86 9.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.939 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 61.0 24.05 14.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -115.96 173.5 6.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.847 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 87.3 m-85 -152.69 142.77 22.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.873 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -105.91 121.91 45.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.104 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -93.85 136.85 33.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.955 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.7 mp0 -133.55 102.6 5.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.897 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.4 tt -105.66 133.22 50.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.155 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.9 t -134.36 131.42 38.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.858 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -175.7 171.68 2.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -93.75 39.59 1.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.082 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -117.17 -27.64 6.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.969 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 24.6 m-85 -93.6 42.09 1.09 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 31.2 m-20 -90.89 -25.56 19.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.907 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -107.79 -20.67 8.3 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.456 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 5.9 mt -76.09 165.42 24.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.788 0.328 . . . . 0.0 110.91 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 15.5 t -112.47 177.69 4.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -55.27 -26.16 38.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.922 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 49.5 mm -82.37 -58.41 3.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.12 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 9.5 m-20 -57.44 -23.62 50.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.849 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 24.0 mt-30 -80.36 -31.09 37.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.919 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 13.6 t-80 -80.28 -29.38 38.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.855 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 7.7 ptpt -80.28 -33.25 37.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.919 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 6.6 mt -58.59 -54.6 45.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.918 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 18.9 m -52.15 -33.34 16.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.111 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.2 mmpt? -78.78 -30.25 45.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.918 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 73.4 m-20 -74.33 -43.15 57.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.46 -20.48 55.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.132 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 4.4 pp -108.15 -14.57 14.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 42.0 t -90.0 -31.19 17.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.862 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -90.3 -34.74 15.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.856 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 48.0 mm -81.75 -19.92 10.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.093 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.3 mm? 57.83 54.68 5.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 15.7 m-20 -100.51 -25.75 14.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.852 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 16.7 tppt? -124.61 154.1 41.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 30.0 mmtp -88.77 -74.27 0.47 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.893 179.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.0 mp -155.46 130.31 9.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 2.4 t-160 -167.59 137.44 2.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.86 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 4.3 p -112.6 120.11 40.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.865 -179.769 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 21.7 pt -148.47 169.74 3.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.195 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 11.7 t -80.06 138.37 36.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.82 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 10.2 mt -122.12 118.19 54.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.183 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 63.8 tttp -100.64 144.62 29.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.904 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 20.5 p -111.0 126.21 54.55 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.129 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 4.8 mp -130.39 128.83 64.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.146 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 77.3 p . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.888 -179.948 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 18.7 m . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.878 0.371 . . . . 0.0 110.916 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.12 -24.26 67.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.095 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -63.81 -25.07 68.01 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -71.26 -19.88 62.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.891 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 37.7 tp -54.77 -25.99 31.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.903 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -78.05 -34.58 50.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.838 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 42.2 mmtm -51.77 -32.68 31.96 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.889 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.6 mp -71.69 -57.35 7.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.104 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 29.5 mt -60.94 -23.78 65.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.5 mtpt -63.29 -32.69 74.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.87 179.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 9.0 mmpt? -51.43 -31.38 22.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.895 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.3 t -110.3 -58.65 2.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.831 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 9.7 m-85 -111.99 78.7 2.4 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.654 0.74 . . . . 0.0 110.868 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -48.55 0.7 Allowed 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.665 2.243 . . . . 0.0 112.323 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.8 t -60.59 -25.11 65.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.852 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.4 p -56.35 167.01 0.74 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.857 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 91.3 t -108.73 96.39 4.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.133 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 4.5 mp -82.26 131.83 32.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.159 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.6 ttmm -150.0 144.58 25.91 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 4.5 mp -101.4 143.39 14.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.17 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 2.0 m -128.18 134.3 49.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.113 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -94.74 115.03 27.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.881 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.0 mp -83.22 -50.13 8.74 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.899 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 6.7 m -124.47 -39.35 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.146 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 102.49 -71.28 0.32 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.498 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -52.32 -67.68 0.23 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.762 0.315 . . . . 0.0 110.838 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -53.77 154.96 3.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.907 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -77.73 60.58 2.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.87 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -109.14 120.2 41.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.854 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -123.26 113.58 19.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.896 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -93.31 99.99 12.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.145 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 43.9 tp -82.66 123.43 29.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -120.77 113.03 19.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 17.6 tt -117.24 145.51 22.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.119 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -128.28 123.13 33.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.855 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -146.01 177.12 9.19 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -121.63 27.69 8.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.114 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -121.18 -31.84 4.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -64.34 -15.58 60.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.93 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 25.5 m-80 -50.93 -30.96 16.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.929 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -95.31 41.43 2.49 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.487 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 46.7 mt -149.84 -176.36 5.4 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.822 0.344 . . . . 0.0 110.9 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 16.0 t -121.19 174.78 6.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.843 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -56.49 -26.66 54.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.934 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 41.1 mm -76.77 -54.63 12.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.168 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 -63.66 -32.42 73.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.842 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -69.26 -42.43 75.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.957 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 7.4 t-80 -78.32 -25.42 46.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 80.3 mttt -81.11 -45.63 16.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 6.9 mt -49.35 -53.62 21.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.988 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 19.3 m -53.75 -31.75 20.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.14 179.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 6.9 mmpt? -80.02 -29.99 39.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.945 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 75.0 m-80 -79.14 -35.09 42.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.921 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -57.0 -22.93 42.42 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.09 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.9 pp -119.88 19.42 12.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.923 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 32.2 t -90.25 -21.52 22.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.897 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -99.2 -39.47 8.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.859 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 1.9 mp -87.42 -25.49 6.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.144 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.2 mm? 57.64 36.14 26.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.892 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 14.0 m-20 -51.48 -57.18 9.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.925 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.67 150.8 21.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.889 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 12.7 mtmt -60.41 -173.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -88.9 54.51 3.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.933 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 12.0 m-70 -97.69 -176.72 3.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.847 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -144.15 120.25 10.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.82 -179.784 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -134.63 170.0 20.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.096 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 28.6 t -80.44 134.95 36.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 9.1 mt -122.7 102.89 12.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.117 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 51.8 tttt -90.13 134.75 34.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.85 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 7.5 p -95.65 130.29 42.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.144 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 4.0 mp -133.93 150.37 31.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.139 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.806 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 34.0 m . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.948 0.404 . . . . 0.0 110.827 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.15 -24.24 67.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.074 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -67.24 -23.89 65.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.914 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -88.64 -25.02 22.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.856 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 20.1 tp -52.57 -29.44 25.61 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.889 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -74.68 -36.22 62.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 22.4 mmmt -52.88 -28.8 24.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.9 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 5.1 mp -76.96 -43.24 32.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.118 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 27.1 mt -75.1 -17.8 60.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.929 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.7 mtpt -73.7 -22.82 59.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.924 179.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.4 mmmt -51.9 -52.13 52.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.911 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 23.0 t -105.64 -26.37 11.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.87 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -114.82 71.95 2.69 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.663 0.744 . . . . 0.0 110.875 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -50.25 0.48 Allowed 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.665 2.243 . . . . 0.0 112.35 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.8 m -67.56 -35.39 78.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.825 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 12.8 p -51.86 149.13 5.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.804 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 87.2 t -100.49 113.27 35.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.114 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 4.3 mp -92.51 130.85 41.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.128 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -141.08 143.43 34.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.829 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 4.7 mp -120.7 142.88 34.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.087 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 7.3 m -141.41 130.97 23.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.126 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 52.6 m-20 -101.8 111.29 23.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.856 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.2 mp -119.3 27.46 8.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.884 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 60.5 t -145.07 120.93 3.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.147 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -100.2 25.24 29.04 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.472 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -114.31 -67.19 1.01 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.745 0.307 . . . . 0.0 110.863 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -103.56 161.04 14.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.927 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -76.35 74.78 3.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.827 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 4.9 m-70 -102.68 165.18 11.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 87.8 m-85 -148.86 142.69 25.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.958 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -109.48 102.99 11.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.077 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 16.3 tp -80.09 143.86 33.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.955 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -137.11 105.14 5.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.868 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -103.13 135.47 40.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.13 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.1 m -135.88 122.81 21.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -176.28 173.0 2.21 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.865 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -101.51 42.28 1.14 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.136 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -115.83 -24.49 8.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.855 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 92.8 m-85 -95.74 26.03 4.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.878 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 29.0 m-20 -84.22 118.42 24.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.879 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 96.39 18.17 31.7 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.497 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 68.2 mt -109.68 170.7 7.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.849 0.357 . . . . 0.0 110.875 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 23.2 t -102.7 160.87 14.2 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.822 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -51.98 -30.49 25.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.901 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 50.7 mm -77.41 -44.44 30.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.136 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 91.2 m-20 -62.26 -42.44 99.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.924 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 15.2 mt-30 -64.03 -41.41 97.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.917 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -75.22 -25.19 57.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.825 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 21.5 ttmt -80.14 -44.45 19.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.925 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 14.3 mt -51.97 -54.67 26.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.91 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 19.7 m -52.51 -33.55 18.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.117 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 4.0 mmpt? -79.93 -28.43 39.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 39.7 m-20 -76.91 -42.12 40.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.929 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.3 -21.06 59.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.092 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 4.6 pp -109.67 -8.96 14.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 30.7 t -90.02 0.11 57.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.878 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -108.64 -44.78 3.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.926 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 5.7 mt -93.77 -22.97 5.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.106 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.9 mp 46.64 47.13 14.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.972 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 -51.81 -71.39 0.07 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.933 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -173.7 -174.4 0.96 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.911 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 52.08 39.53 26.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.909 179.843 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 8.1 mt -100.62 87.35 3.33 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.891 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 35.1 m-70 -139.45 -74.88 0.36 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.853 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 4.0 p -179.47 119.91 0.07 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 -179.743 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 6.1 pt -151.54 166.43 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.099 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 10.5 t -83.34 137.47 33.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.873 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 5.1 mt -120.44 120.37 62.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.137 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 34.7 tttp -101.1 140.82 34.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.917 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 19.4 p -105.72 131.68 52.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.179 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 4.6 mp -140.58 121.5 14.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.124 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 83.3 p . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.859 -179.944 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 37.4 m . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.922 0.392 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -57.57 -30.68 65.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.117 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 22.7 pt-20 -59.85 -25.23 64.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.89 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -72.26 -28.54 63.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.907 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 21.5 tp -74.14 -47.5 35.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.905 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -61.69 -37.55 84.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.873 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 31.2 mmtm -58.64 -27.02 64.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.883 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 37.8 mt -68.98 -46.95 78.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.123 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 14.4 mt -68.51 -30.73 69.62 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.931 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 21.2 mtpt -51.06 -34.99 32.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.86 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.3 mptt -51.32 -32.12 24.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.91 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.3 t -110.09 -58.49 2.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.86 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -111.17 80.62 2.48 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.627 0.727 . . . . 0.0 110.893 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -25.4 28.46 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.701 2.268 . . . . 0.0 112.29 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.2 t -87.22 -20.99 26.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.882 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.3 m -57.94 163.27 2.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.877 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 91.1 t -108.55 94.35 3.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.119 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 3.6 mp -80.7 123.02 36.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.158 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 6.7 ttmt -133.24 124.23 27.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.9 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 5.3 mp -86.59 128.08 39.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.086 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 87.8 m -139.14 138.79 37.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.115 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 60.7 m-20 -84.46 141.09 31.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.855 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 12.7 mt -115.63 -26.7 7.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.902 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 92.7 t -99.9 -68.41 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.159 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 129.1 -51.98 0.84 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.515 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -106.54 -45.57 4.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.764 0.316 . . . . 0.0 110.865 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -61.05 157.32 15.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.969 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -78.51 71.51 4.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.844 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 3.0 t-160 -108.15 166.54 10.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -159.92 113.6 2.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.917 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -94.67 100.18 12.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.082 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 34.6 tp -85.5 113.75 22.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.907 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -110.19 120.59 42.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.88 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.1 tt -104.25 139.82 24.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.139 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -132.62 112.94 12.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.884 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -177.59 -173.53 0.42 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.894 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -116.74 29.15 8.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.094 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -92.1 -2.84 56.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.912 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 5.2 p90 -124.07 21.78 8.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.847 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -54.35 -46.55 72.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.925 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -107.62 58.39 0.41 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.478 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 76.1 mt -137.79 167.19 22.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.819 0.343 . . . . 0.0 110.949 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 14.8 t -106.58 167.44 9.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.864 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -54.86 -26.13 33.36 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.903 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 40.1 mm -85.53 -41.0 15.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.141 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 8.0 m-20 -65.86 -31.42 72.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.857 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -76.54 -35.82 58.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.896 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -80.44 -30.38 37.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 9.1 ptmm? -80.47 -30.34 37.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.928 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 5.9 mt -62.8 -53.93 46.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.942 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 16.0 m -51.52 -36.12 17.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.121 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.4 -34.34 63.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.94 179.866 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 79.0 m-20 -66.15 -45.35 81.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.27 -19.4 45.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.035 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 4.1 pp -113.91 5.33 16.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.947 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 85.5 p -90.31 -37.85 13.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.842 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -94.24 -35.12 12.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.835 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 24.5 mm -76.16 -23.54 15.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.108 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.3 mm? 54.48 52.73 11.87 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.907 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 4.1 p30 -108.08 25.06 12.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.944 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.24 151.08 30.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.884 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 39.8 mmtm -76.67 -174.39 2.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.905 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.89 -25.09 62.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.984 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -51.97 161.94 0.52 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.812 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 78.4 p -129.86 155.33 46.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.854 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -143.65 169.93 10.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.135 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.3 m -80.01 146.36 32.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.867 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 3.8 mt -129.89 124.54 58.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.121 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 61.2 tttt -106.16 150.97 25.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 179.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 17.8 p -117.46 116.28 26.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.188 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 2.6 mp -133.69 144.94 34.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.154 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.1 tpp . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.783 0.325 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 57.21 26.82 12.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.114 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.4 tt -59.36 151.91 4.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.128 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 73.9 m -54.85 151.34 8.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.892 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -68.72 -23.86 64.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.1 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -70.03 -19.93 63.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.876 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -88.22 -23.3 23.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.843 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 16.9 tp -51.18 -33.44 27.23 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.917 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -71.11 -39.57 71.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.904 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 16.5 tptt -51.13 -29.78 14.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.895 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.1 mp -78.94 -44.95 24.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.148 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 13.0 mt -63.31 -16.2 59.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -72.68 -25.2 61.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.864 179.838 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.1 mmtm -48.42 -46.42 37.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.922 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -110.74 -24.11 10.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.877 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 -132.67 74.94 74.07 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.697 0.76 . . . . 0.0 110.928 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.85 -50.45 0.45 Allowed 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.639 2.226 . . . . 0.0 112.344 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.9 m -67.01 -25.89 66.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.876 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -50.8 152.05 2.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.823 -179.802 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 60.0 t -98.93 104.52 16.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.114 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 4.3 mp -95.96 132.54 39.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.107 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.3 tppt? -148.56 136.34 20.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.856 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 5.4 mp -107.45 143.26 18.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.13 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 87.5 m -139.4 140.48 37.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.118 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -86.95 129.17 34.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 13.6 mt -100.43 -39.65 7.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.935 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 6.7 m -116.65 -26.81 2.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.141 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 56.84 34.52 65.32 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.494 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 78.9 m-20 -132.33 -58.31 0.94 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.776 0.322 . . . . 0.0 110.826 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -97.95 -175.74 3.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.895 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -77.6 64.62 2.95 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 11.1 t-160 -116.68 101.24 8.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.811 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -107.92 127.75 54.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.913 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -91.62 101.71 14.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.086 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -79.89 139.06 37.27 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.916 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -133.33 108.3 8.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.83 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -106.27 135.03 46.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.136 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -134.79 124.64 25.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -171.48 -175.39 1.6 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.837 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -110.33 24.93 12.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.113 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -109.86 -15.55 14.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.879 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -95.16 24.38 5.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.875 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 10.4 m-80 -92.55 120.76 33.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.846 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 102.95 -24.67 29.88 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.477 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 9.6 mt -71.07 165.28 23.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.792 0.329 . . . . 0.0 110.976 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 37.1 t -100.16 165.94 11.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.842 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -56.04 -25.41 44.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.901 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 49.3 mm -81.59 -41.04 18.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.17 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 24.3 m-20 -69.07 -40.53 78.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.901 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -66.66 -39.45 88.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.913 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 8.3 t-80 -75.68 -27.54 58.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 19.9 ttmt -80.74 -42.02 22.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.882 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 12.4 mt -51.09 -55.05 19.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.886 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 24.4 m -52.14 -33.25 16.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.123 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 5.7 mmpt? -80.21 -28.95 38.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.903 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 25.6 m-20 -78.03 -34.99 50.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.886 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.3 -16.77 56.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.105 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.7 pp -118.1 -5.35 10.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 43.6 t -90.11 -3.43 57.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -105.8 -44.26 4.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.872 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 5.0 mt -91.86 -19.66 6.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.134 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.2 mm? 57.85 40.3 26.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.924 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 18.2 m-20 -59.63 -51.4 69.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.934 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.98 155.52 29.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.892 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 17.4 mmmt -59.29 172.73 0.58 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.895 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 10.1 mp -94.09 115.0 27.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.906 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 32.7 m170 -138.32 -178.35 5.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.841 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 5.3 m -120.75 124.82 46.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.859 -179.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 19.5 pt -151.57 169.51 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.168 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 41.9 t -81.76 130.51 35.09 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.832 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 10.6 mt -121.92 101.7 10.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.121 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 58.8 tttt -85.18 137.45 33.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.873 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 27.9 p -104.61 130.93 52.54 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.151 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 5.3 mp -133.35 133.24 57.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.114 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 76.1 p -126.13 157.7 37.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.877 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 5.0 mp 58.01 73.67 0.72 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.624 0.725 . . . . 0.0 111.125 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--N 1.342 0.207 0 C-N-CA 122.651 2.234 . . . . 0.0 112.365 179.894 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.4 mmt . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.781 0.324 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -97.52 152.2 19.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.106 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 5.7 tt -104.09 150.86 6.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.079 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 38.3 m -52.36 138.23 27.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.89 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.67 -25.65 63.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.06 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -66.16 -24.04 66.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.922 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 10.6 tm-20 -79.45 -23.95 42.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.89 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 39.7 tp -51.75 -36.2 46.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.89 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -72.51 -32.76 66.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.926 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 17.7 tptp -52.16 -29.37 21.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.839 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 5.4 mp -84.2 -31.07 7.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.09 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 32.4 mt -83.73 -9.96 58.47 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 11.8 mtpt -79.5 -25.06 41.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.868 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 15.5 mmtt -52.97 -47.3 68.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -107.81 -30.92 8.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -118.34 67.54 6.97 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.628 0.728 . . . . 0.0 110.914 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 -50.05 0.5 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.688 2.259 . . . . 0.0 112.325 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.7 m -68.35 -27.03 65.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.856 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.3 p -60.27 146.48 43.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.853 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 67.9 t -93.06 108.13 19.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.137 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 4.6 mp -94.4 127.28 46.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.134 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 5.1 ttmm -142.59 139.7 31.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.853 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 4.9 mp -106.59 146.28 13.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.149 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.3 m -119.9 135.25 54.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.146 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -97.73 89.86 4.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.905 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 10.6 mt -111.07 -24.17 10.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.97 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 98.9 t -76.63 -74.22 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.129 179.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 123.4 70.28 0.23 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.481 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 15.9 t0 66.37 73.73 0.36 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.782 0.325 . . . . 0.0 110.903 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -159.38 163.69 35.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.869 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -57.79 -24.33 56.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.87 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 10.5 t60 -77.72 136.96 38.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.862 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -151.44 151.55 31.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -98.82 106.49 18.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.055 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 19.8 tp -101.26 114.46 28.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.952 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -112.04 115.72 29.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.913 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 17.2 tt -112.84 144.57 20.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.108 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 6.6 m -126.11 101.78 6.93 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -130.15 155.86 45.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.876 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -95.05 23.99 5.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.104 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 12.8 mt-30 -108.25 -18.16 13.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.923 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -95.67 26.86 3.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.904 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 51.1 m-20 -86.87 56.25 3.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.874 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 158.35 -22.08 0.35 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.447 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 45.8 mt -62.98 176.06 0.77 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.869 0.366 . . . . 0.0 110.863 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -104.8 158.57 16.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.912 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -52.22 -30.24 26.49 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.878 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 51.1 mm -76.57 -47.66 28.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.127 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 32.7 m-20 -61.77 -39.61 92.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.924 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -65.55 -43.54 89.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.876 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -72.37 -26.29 61.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.854 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 14.8 ttmt -80.34 -44.67 19.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.909 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 25.6 mt -51.57 -54.58 25.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.947 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 20.3 m -52.49 -33.46 17.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.099 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 5.7 mmpt? -80.03 -28.29 39.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.929 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 33.0 m-20 -77.71 -39.51 44.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.863 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.03 -19.87 54.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.124 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 4.5 pp -108.96 -23.48 11.69 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.918 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 28.0 t -82.45 -26.49 32.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.898 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -89.96 -32.6 16.74 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.85 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 26.2 mm -89.36 -15.61 8.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.135 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.3 mm? 57.84 32.34 21.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 13.4 m-20 -74.91 -25.56 59.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.904 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.68 153.18 1.75 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.882 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.4 mmmp? -126.77 78.65 1.81 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.895 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -69.78 147.14 50.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.918 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 18.3 t-160 -64.44 -62.41 1.61 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 21.4 p -178.99 120.18 0.08 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.854 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 20.9 pt -135.77 166.83 26.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.173 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 41.6 t -80.11 122.23 26.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.832 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 17.6 mt -113.39 110.28 31.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.095 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 56.0 tttt -91.22 141.04 29.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.885 179.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 19.7 p -105.18 125.92 51.51 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.104 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 5.4 mp -130.49 130.1 64.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.109 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 9.1 p -137.86 145.55 42.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.91 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 7.1 pt -146.71 155.96 48.44 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.652 0.739 . . . . 0.0 111.134 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--N 1.341 0.177 0 C-N-CA 122.75 2.3 . . . . 0.0 112.32 179.881 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.1 ptt? . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.799 0.333 . . . . 0.0 110.837 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -115.43 153.24 31.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.106 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.4 tt -138.26 150.81 24.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.109 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 35.0 m -58.04 135.37 56.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.846 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -54.5 -28.19 43.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.055 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 18.6 pt-20 -61.33 -20.06 62.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.896 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 14.2 tp10 -80.11 -31.37 39.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.865 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 49.6 tp -73.63 -37.17 65.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.911 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -69.31 -32.73 72.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.873 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 36.8 mmtt -50.08 -31.35 12.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.6 mp -70.89 -68.87 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.086 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 59.7 mt -52.41 -32.3 38.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.935 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.9 mtpt -53.57 -27.45 26.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.907 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 16.6 mmtm -52.45 -38.78 60.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 29.1 t -109.91 -48.12 3.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.827 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -112.9 75.97 2.11 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.588 0.709 . . . . 0.0 110.854 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 -47.8 0.86 Allowed 'Trans proline' 0 C--O 1.231 0.138 0 C-N-CA 122.685 2.257 . . . . 0.0 112.334 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.3 p -64.59 -27.36 68.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.861 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -51.85 158.38 1.02 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.896 -179.822 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 95.8 t -98.99 94.96 3.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.167 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 3.7 mp -90.26 109.84 21.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.139 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.1 ttmm -133.33 151.26 51.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 5.3 mp -114.1 134.83 55.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.095 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 87.7 m -133.0 142.07 48.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.14 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 16.5 p-10 -79.56 131.75 36.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 10.4 mt -96.22 -54.86 3.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.897 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 6.6 m -115.81 -39.25 2.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.114 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 72.73 39.61 55.04 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.471 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -117.75 -38.58 3.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.697 0.284 . . . . 0.0 110.862 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 2.0 pp0? -123.83 34.02 5.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 62.55 47.71 4.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 2.9 t-80 -69.68 135.85 50.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 26.8 m-85 -128.65 124.1 34.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.915 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -99.11 100.11 11.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.077 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 24.6 tp -80.63 105.55 11.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -102.21 128.28 48.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.3 tt -122.57 124.11 69.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.156 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.9 t -120.47 111.74 18.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.853 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -152.61 174.45 13.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.863 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -99.76 24.98 7.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.132 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -111.01 -15.92 13.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.861 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -95.55 26.01 4.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 27.8 m-80 -96.69 123.94 40.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.887 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 92.58 15.89 51.23 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.486 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 14.8 mt -111.4 175.95 5.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.843 0.354 . . . . 0.0 110.919 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 23.2 t -106.77 175.44 5.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.853 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -63.02 -29.31 70.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.899 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 40.7 mm -82.29 -40.97 17.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.146 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 26.3 m-20 -65.61 -32.67 74.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.879 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 17.1 mt-30 -77.29 -34.32 55.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.913 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -80.41 -29.81 37.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -80.81 -30.31 35.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.863 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 11.3 mt -62.68 -53.93 47.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.927 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 15.7 m -51.13 -36.84 16.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.159 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 7.0 mmpt? -73.56 -34.44 65.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.937 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 -67.52 -45.11 76.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.91 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -57.91 -21.04 41.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.107 179.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 4.0 pp -117.28 21.79 12.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.906 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 11.7 m -90.27 -56.99 3.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.878 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -68.02 -43.39 78.92 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.891 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 4.6 mp -71.75 -49.0 48.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.094 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER 63.91 42.38 6.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.901 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -51.25 -51.37 54.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.881 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 13.6 tppt? -109.22 152.42 25.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.9 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 4.0 mtpm? -128.25 143.9 51.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.923 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.5 mm? 51.66 67.38 0.97 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.886 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 34.4 p-80 -140.31 115.4 9.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.872 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 9.1 t -120.53 119.86 34.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.846 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 30.7 pt -151.42 169.98 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.143 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 2.7 t -80.36 141.97 34.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.86 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 6.5 mt -119.99 108.26 22.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.12 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 9.8 tttp -86.11 134.95 33.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 19.9 p -96.11 123.9 39.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.164 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 4.4 mp -131.6 127.4 59.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.145 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 73.4 p -117.96 149.23 41.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.846 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 4.5 tt -177.45 78.11 0.24 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.62 0.724 . . . . 0.0 111.126 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--N 1.341 0.169 0 C-N-CA 122.729 2.286 . . . . 0.0 112.301 179.916 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.7 mmt . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.787 0.327 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -92.82 132.96 36.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.082 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 6.9 tt -125.25 151.35 30.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.127 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 66.7 m -51.95 140.4 20.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.87 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -59.57 -29.87 68.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.041 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -63.23 -23.95 67.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.907 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 15.2 tp10 -85.94 -24.92 26.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.863 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 14.0 tp -64.92 -45.29 86.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -61.21 -33.21 73.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 18.6 mmtp -49.86 -32.18 13.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.0 mp -74.17 -49.32 33.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.108 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 35.9 mt -70.25 -10.94 60.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.892 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.4 mtpt -87.71 -42.86 12.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 35.9 mmtt -53.99 -28.67 39.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.883 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 38.3 t -110.1 -48.45 3.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.824 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -113.28 75.55 2.31 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.629 0.728 . . . . 0.0 110.829 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 -24.63 29.51 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.731 2.287 . . . . 0.0 112.33 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 15.8 t -93.83 18.84 9.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.89 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 9.0 p -111.61 138.44 48.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.836 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 27.0 t -84.01 109.0 16.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.149 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 4.4 mt -95.1 131.11 42.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.143 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.0 tppt? -146.37 138.22 24.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.889 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 5.3 mp -105.61 138.44 30.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.146 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 22.5 m -140.72 135.1 31.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.121 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -89.74 132.27 35.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.865 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 15.2 mt -104.92 -46.24 4.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 26.1 m -128.46 154.29 39.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.168 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -112.5 33.8 5.48 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.484 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -132.29 -45.45 0.92 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.764 0.316 . . . . 0.0 110.889 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -100.61 153.56 19.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.884 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -78.18 60.72 2.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.849 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -104.01 117.84 35.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.823 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -110.16 125.02 52.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.93 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -91.39 102.63 15.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.039 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 51.8 tp -85.5 130.1 34.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.925 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.8 mp0 -120.91 112.02 18.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 11.3 tt -118.9 127.02 75.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.146 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 7.4 t -119.38 99.98 7.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.855 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -127.7 -179.06 4.74 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.892 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -127.06 32.56 5.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.048 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -115.45 -21.85 9.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.909 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 1.4 p90 -61.07 -18.63 58.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 8.6 m-80 -50.95 115.4 1.5 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.868 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 104.9 16.94 15.46 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.445 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 81.7 mt -125.82 179.04 5.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.825 0.345 . . . . 0.0 110.893 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 23.6 t -117.6 174.09 6.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.886 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -57.4 -23.79 51.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.935 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 46.0 mm -80.86 -51.11 16.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.137 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -62.65 -35.46 79.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.869 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 24.9 mt-30 -67.88 -43.68 78.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.948 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -75.72 -25.33 56.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.823 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 17.8 mttm -80.77 -44.31 18.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.918 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 9.5 mt -48.74 -55.04 12.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.905 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 22.4 m -52.59 -32.3 16.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.13 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.4 mmpt? -79.92 -29.81 39.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.868 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 76.5 m-20 -80.05 -28.41 39.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.938 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.93 -13.99 60.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.096 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.2 pp -118.8 -6.21 10.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.909 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 47.1 m -90.14 -30.84 17.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.858 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -94.39 -37.75 11.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.917 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 23.3 mm -76.91 -26.87 16.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.1 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.3 mm? 57.84 55.57 5.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.912 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 92.7 m-20 -91.58 -46.87 7.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.912 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.16 149.88 47.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.886 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.24 154.28 6.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.912 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 8.2 mp -78.28 163.63 25.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.894 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -177.38 175.92 1.39 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 179.822 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 63.4 p -106.63 120.01 40.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.865 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 21.9 pt -151.47 169.96 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.145 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.5 t -88.01 126.2 34.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.849 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 8.8 mt -117.95 116.04 50.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.107 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 5.8 tttt -97.69 135.98 38.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.913 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 19.7 p -99.1 116.01 30.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.134 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 4.9 mp -113.97 147.31 17.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.078 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.6 p -119.37 146.23 45.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.872 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 4.3 tt -133.68 78.2 62.11 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.659 0.742 . . . . 0.0 111.124 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--N 1.342 0.187 0 C-N-CA 122.699 2.266 . . . . 0.0 112.351 179.876 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.4 tpt . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.776 0.322 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -104.22 -62.98 1.25 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.08 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.8 tt -99.3 151.41 4.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.113 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 40.3 m -53.08 140.52 25.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.889 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -60.8 -24.88 66.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.153 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -67.86 -24.87 65.29 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.898 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -79.77 -20.77 45.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.872 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 23.1 tp -52.84 -29.73 29.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.905 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -74.86 -33.9 62.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 27.5 mmmt -50.22 -31.23 13.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.939 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.6 mp -72.47 -68.2 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.16 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 18.9 mt -51.86 -33.08 34.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.951 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.0 mtpt -52.46 -29.14 23.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.909 179.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.9 mmmm -58.16 -29.54 65.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.914 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.7 t -110.01 -51.27 2.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.856 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 -112.64 77.04 2.27 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.676 0.75 . . . . 0.0 110.865 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 -50.1 0.49 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.706 2.271 . . . . 0.0 112.315 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.6 m -65.44 -23.33 66.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.838 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.7 m -60.7 170.24 1.53 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.875 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 84.8 t -111.35 95.98 4.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.145 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 6.4 mt -84.5 127.75 39.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.133 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 15.2 ttmm -150.06 154.78 38.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.856 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 4.0 mp -111.82 149.15 14.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.15 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 6.6 m -124.9 139.18 54.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.158 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -90.45 89.76 7.72 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.841 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 28.0 mt -127.12 28.83 5.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.926 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 8.9 t -140.66 156.12 23.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.119 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -90.5 43.55 2.9 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.504 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 22.9 t0 52.86 88.18 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.801 0.334 . . . . 0.0 110.877 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -158.0 46.18 0.35 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 64.22 55.16 1.5 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.881 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 21.0 t60 -160.48 155.83 24.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.866 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 11.7 m-85 -159.63 152.23 21.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -100.05 99.92 10.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.107 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -84.4 140.88 31.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.928 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -138.61 117.14 12.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.85 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 16.8 tt -118.12 143.82 27.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.145 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.6 m -116.98 99.86 7.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.864 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -124.29 171.69 9.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.848 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -127.12 15.52 7.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.134 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 22.6 mt-30 -103.76 -21.52 13.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.911 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 1.3 p90 -58.27 -21.81 50.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.893 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 12.9 m-80 -51.12 109.45 0.33 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.915 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 116.08 -12.85 16.94 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.49 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 80.0 mt -94.66 173.08 7.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.818 0.342 . . . . 0.0 110.968 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 19.8 t -106.41 167.03 10.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.835 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -55.61 -25.73 40.29 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.951 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 50.7 mm -81.87 -42.35 19.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.14 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 -65.22 -38.55 90.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 15.4 mt-30 -65.65 -39.64 91.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.873 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 5.3 t-80 -80.05 -24.67 40.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 16.5 mttm -80.19 -45.14 18.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.904 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 13.0 mt -51.29 -52.76 42.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.928 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 20.6 m -55.54 -32.31 30.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.134 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 5.4 mmpt? -79.99 -28.26 39.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.924 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 82.0 m-20 -79.66 -38.25 34.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.88 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.86 -16.47 58.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.116 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 4.0 pp -113.28 -12.67 13.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 37.8 t -81.96 -25.23 35.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.886 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -93.45 -39.92 10.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.855 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 20.6 mm -76.48 -25.94 16.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.175 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.2 mm? 57.78 38.55 27.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.913 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 14.1 p30 -94.51 38.14 1.11 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.878 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.16 176.99 7.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.928 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 52.9 mtpt -106.75 161.67 14.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.941 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 7.0 mp -60.73 96.16 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.935 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -145.2 -178.44 6.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.87 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 91.1 p -149.94 120.28 7.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.821 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 21.0 pt -133.15 169.7 21.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.172 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.9 t -81.02 138.58 36.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.859 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 7.4 mt -125.88 105.96 15.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.111 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 24.9 tttp -90.25 133.48 34.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.874 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 11.5 p -93.95 121.55 35.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.131 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 4.4 mp -131.11 148.69 32.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.13 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.1 p -110.39 146.83 35.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.866 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 6.0 pt -51.53 155.73 2.53 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.637 0.732 . . . . 0.0 111.123 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--N 1.342 0.195 0 C-N-CA 122.658 2.238 . . . . 0.0 112.357 179.891 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.4 mmt . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.765 0.317 . . . . 0.0 110.864 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -90.01 -58.25 2.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.107 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 6.8 tt -157.7 152.29 7.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.131 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 43.3 m -52.97 137.45 32.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.831 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -57.68 -26.94 62.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.08 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -66.03 -20.02 66.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.933 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 27.0 tp10 -90.22 -19.85 23.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.917 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 34.7 tp -51.65 -30.11 20.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.887 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -72.41 -43.28 64.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.864 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 8.7 mptt -53.05 -28.51 24.97 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.874 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 10.1 mt -73.04 -57.5 6.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.156 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 20.4 mt -65.34 -19.52 65.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.885 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.8 mtpt -70.45 -20.61 62.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.858 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 26.8 mmtt -53.14 -55.32 25.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.935 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.5 m -103.45 -23.84 13.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.841 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -115.09 71.24 2.77 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.63 0.728 . . . . 0.0 110.881 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -27.11 26.95 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.654 2.236 . . . . 0.0 112.34 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.8 t -99.8 21.12 12.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.837 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -100.37 150.88 22.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.85 -179.838 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 84.2 t -100.53 96.81 5.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.142 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 3.7 mp -81.54 120.58 33.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.155 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.5 tppm? -139.36 138.33 36.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 5.4 mp -94.73 142.69 13.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.131 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 32.8 m -145.55 136.38 24.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.137 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -83.58 128.9 34.88 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 12.2 mt -103.47 -48.08 4.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.896 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 35.4 m -121.69 -34.05 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.138 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 82.2 -64.87 4.18 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.467 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 44.1 m-20 -51.98 -69.02 0.12 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.774 0.321 . . . . 0.0 110.868 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -59.99 156.14 15.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.91 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 29.2 m-20 -79.88 59.52 3.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.841 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 12.9 t60 -116.02 129.73 56.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.859 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 31.6 m-85 -116.95 124.49 49.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.931 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -90.03 103.81 16.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.128 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 21.5 tp -92.6 116.52 29.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.929 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -108.64 116.74 32.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.867 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.9 tt -115.64 136.12 53.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.138 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 17.9 m -129.11 129.49 45.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.855 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -163.65 171.0 16.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.904 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -97.51 32.77 2.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.105 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -116.32 -24.62 7.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -95.8 29.52 2.65 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.863 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 65.8 m-20 -77.92 -25.8 48.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.895 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -120.19 -21.8 3.34 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.454 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -51.2 164.84 0.15 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.839 0.352 . . . . 0.0 110.892 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 28.1 t -102.89 162.68 12.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.874 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -52.09 -38.1 56.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.915 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 48.7 mm -75.45 -45.16 40.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.091 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 11.1 m-20 -58.38 -50.76 72.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.872 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 20.7 mt-30 -54.93 -44.99 74.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.934 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -69.66 -23.5 63.48 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.867 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 23.0 ttmt -80.27 -46.19 16.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.87 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 79.3 mt -51.84 -54.33 30.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.927 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 16.1 m -52.13 -33.33 16.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.112 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 5.6 mmpt? -80.09 -29.43 39.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.898 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 24.0 m-20 -77.1 -37.28 54.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.913 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.84 -19.54 51.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.089 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.8 pp -119.75 10.64 11.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.979 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 31.2 t -90.5 -34.24 15.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.834 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.51 -35.5 15.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 3.3 mt -89.95 -16.71 8.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.125 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.5 mm? 58.32 22.79 9.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 -51.86 -68.28 0.18 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.844 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.5 150.59 6.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.908 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 31.0 mttp -122.35 -34.65 3.25 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.883 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -51.91 169.66 0.07 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.912 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 17.1 t60 -83.69 -61.1 1.92 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.909 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.8 t -156.12 152.35 27.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.86 -179.78 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 11.3 pt -152.82 170.05 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.188 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.3 t -79.96 121.34 25.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.826 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 16.9 mt -113.38 108.61 25.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.133 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 23.3 tttp -88.05 135.17 33.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 28.5 p -100.14 123.89 44.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.116 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 4.7 mp -124.52 117.5 50.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.106 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.1 t -98.82 158.21 15.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.844 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 57.7 mt -119.77 73.9 17.98 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.589 0.709 . . . . 0.0 111.115 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--O 1.231 0.141 0 C-N-CA 122.69 2.26 . . . . 0.0 112.315 179.875 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.3 ttt . . . . . 0 N--CA 1.457 -0.081 0 CA-C-O 120.775 0.321 . . . . 0.0 110.853 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 57.1 54.29 7.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.088 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.7 tt -106.02 151.59 8.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.143 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 31.0 m -52.02 140.82 19.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.808 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -59.58 -24.51 63.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.114 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -66.36 -24.25 66.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.902 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -86.87 -27.26 23.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.873 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 19.0 tp -52.1 -30.25 25.33 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.908 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -79.41 -33.38 42.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.892 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.3 mmmm -53.41 -28.42 29.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.919 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.3 mp -82.3 -34.03 11.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.157 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 30.4 mt -81.41 -13.88 57.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.904 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 9.8 mtpt -75.59 -23.59 56.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.96 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 42.5 mmtt -51.74 -55.04 22.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.931 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 44.8 t -103.32 -29.88 10.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.843 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -116.14 70.57 4.07 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.696 0.76 . . . . 0.0 110.901 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -50.26 0.48 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.682 2.255 . . . . 0.0 112.354 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.5 m -68.2 -25.66 65.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.833 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -52.09 151.23 3.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.861 -179.814 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 97.3 t -100.92 94.92 3.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.11 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 3.8 mp -83.47 112.3 20.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.127 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.5 tppp? -133.81 136.85 44.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 5.4 mp -94.61 142.9 12.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.086 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 96.7 m -134.88 144.48 47.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.191 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -93.32 107.18 19.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.844 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -103.37 -2.3 27.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.885 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 20.2 m -137.15 163.22 32.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.126 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -86.23 63.79 4.12 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.502 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 24.5 t0 64.18 64.5 0.73 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.771 0.32 . . . . 0.0 110.896 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -108.68 27.86 9.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.939 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 61.0 24.05 14.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -115.96 173.5 6.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.847 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 87.3 m-85 -152.69 142.77 22.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.873 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -105.91 121.91 45.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.104 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -93.85 136.85 33.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.955 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.7 mp0 -133.55 102.6 5.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.897 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.4 tt -105.66 133.22 50.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.155 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.9 t -134.36 131.42 38.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.858 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -175.7 171.68 2.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -93.75 39.59 1.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.082 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -117.17 -27.64 6.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.969 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 24.6 m-85 -93.6 42.09 1.09 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 31.2 m-20 -90.89 -25.56 19.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.907 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -107.79 -20.67 8.3 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.456 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 5.9 mt -76.09 165.42 24.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.788 0.328 . . . . 0.0 110.91 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 15.5 t -112.47 177.69 4.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -55.27 -26.16 38.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.922 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 49.5 mm -82.37 -58.41 3.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.12 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 9.5 m-20 -57.44 -23.62 50.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.849 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 24.0 mt-30 -80.36 -31.09 37.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.919 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 13.6 t-80 -80.28 -29.38 38.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.855 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 7.7 ptpt -80.28 -33.25 37.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.919 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 6.6 mt -58.59 -54.6 45.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.918 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 18.9 m -52.15 -33.34 16.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.111 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.2 mmpt? -78.78 -30.25 45.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.918 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 73.4 m-20 -74.33 -43.15 57.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.46 -20.48 55.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.132 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 4.4 pp -108.15 -14.57 14.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 42.0 t -90.0 -31.19 17.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.862 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -90.3 -34.74 15.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.856 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 48.0 mm -81.75 -19.92 10.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.093 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.3 mm? 57.83 54.68 5.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 15.7 m-20 -100.51 -25.75 14.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.852 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 16.7 tppt? -124.61 154.1 41.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 30.0 mmtp -88.77 -74.27 0.47 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.893 179.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.0 mp -155.46 130.31 9.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 2.4 t-160 -167.59 137.44 2.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.86 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 4.3 p -112.6 120.11 40.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.865 -179.769 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 21.7 pt -148.47 169.74 3.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.195 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 11.7 t -80.06 138.37 36.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.82 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 10.2 mt -122.12 118.19 54.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.183 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 63.8 tttp -100.64 144.62 29.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.904 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 20.5 p -111.0 126.21 54.55 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.129 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 4.8 mp -130.39 128.83 64.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.146 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 77.3 p -123.4 128.62 50.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.888 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 4.1 tp -128.99 81.81 70.07 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.625 0.726 . . . . 0.0 111.096 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo . . . . . 0 C--O 1.232 0.188 0 C-N-CA 122.701 2.267 . . . . 0.0 112.337 179.862 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.3 ttp . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.785 0.326 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -54.12 168.79 0.2 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.107 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.5 tt -104.39 150.45 7.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.135 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 18.7 m -60.78 146.2 46.95 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.916 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.12 -24.26 67.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.095 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -63.81 -25.07 68.01 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -71.26 -19.88 62.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.891 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 37.7 tp -54.77 -25.99 31.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.903 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -78.05 -34.58 50.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.838 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 42.2 mmtm -51.77 -32.68 31.96 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.889 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.6 mp -71.69 -57.35 7.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.104 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 29.5 mt -60.94 -23.78 65.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.5 mtpt -63.29 -32.69 74.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.87 179.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 9.0 mmpt? -51.43 -31.38 22.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.895 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.3 t -110.3 -58.65 2.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.831 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 9.7 m-85 -111.99 78.7 2.4 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.654 0.74 . . . . 0.0 110.868 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -48.55 0.7 Allowed 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.665 2.243 . . . . 0.0 112.323 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.8 t -60.59 -25.11 65.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.852 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.4 p -56.35 167.01 0.74 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.857 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 91.3 t -108.73 96.39 4.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.133 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 4.5 mp -82.26 131.83 32.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.159 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.6 ttmm -150.0 144.58 25.91 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 4.5 mp -101.4 143.39 14.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.17 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 2.0 m -128.18 134.3 49.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.113 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -94.74 115.03 27.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.881 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.0 mp -83.22 -50.13 8.74 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.899 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 6.7 m -124.47 -39.35 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.146 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 102.49 -71.28 0.32 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.498 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -52.32 -67.68 0.23 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.762 0.315 . . . . 0.0 110.838 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -53.77 154.96 3.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.907 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -77.73 60.58 2.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.87 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -109.14 120.2 41.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.854 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -123.26 113.58 19.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.896 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -93.31 99.99 12.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.145 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 43.9 tp -82.66 123.43 29.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -120.77 113.03 19.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 17.6 tt -117.24 145.51 22.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.119 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -128.28 123.13 33.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.855 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -146.01 177.12 9.19 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -121.63 27.69 8.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.114 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -121.18 -31.84 4.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -64.34 -15.58 60.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.93 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 25.5 m-80 -50.93 -30.96 16.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.929 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -95.31 41.43 2.49 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.487 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 46.7 mt -149.84 -176.36 5.4 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.822 0.344 . . . . 0.0 110.9 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 16.0 t -121.19 174.78 6.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.843 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -56.49 -26.66 54.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.934 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 41.1 mm -76.77 -54.63 12.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.168 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 -63.66 -32.42 73.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.842 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -69.26 -42.43 75.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.957 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 7.4 t-80 -78.32 -25.42 46.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 80.3 mttt -81.11 -45.63 16.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 6.9 mt -49.35 -53.62 21.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.988 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 19.3 m -53.75 -31.75 20.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.14 179.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 6.9 mmpt? -80.02 -29.99 39.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.945 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 75.0 m-80 -79.14 -35.09 42.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.921 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -57.0 -22.93 42.42 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.09 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.9 pp -119.88 19.42 12.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.923 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 32.2 t -90.25 -21.52 22.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.897 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -99.2 -39.47 8.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.859 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 1.9 mp -87.42 -25.49 6.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.144 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.2 mm? 57.64 36.14 26.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.892 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 14.0 m-20 -51.48 -57.18 9.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.925 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.67 150.8 21.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.889 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 12.7 mtmt -60.41 -173.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -88.9 54.51 3.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.933 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 12.0 m-70 -97.69 -176.72 3.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.847 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -144.15 120.25 10.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.82 -179.784 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -134.63 170.0 20.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.096 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 28.6 t -80.44 134.95 36.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 9.1 mt -122.7 102.89 12.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.117 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 51.8 tttt -90.13 134.75 34.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.85 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 7.5 p -95.65 130.29 42.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.144 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 4.0 mp -133.93 150.37 31.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.139 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -109.63 159.31 17.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.806 -179.844 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 8.9 pt -115.82 156.08 46.89 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.62 0.724 . . . . 0.0 111.158 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo . . . . . 0 C--O 1.231 0.175 0 C-N-CA 122.707 2.271 . . . . 0.0 112.354 179.866 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.3 ttm . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.833 0.349 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -77.11 153.47 34.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.077 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 5.8 tt -92.05 151.1 3.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.12 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 34.0 m -53.26 143.66 17.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.827 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.15 -24.24 67.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.074 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -67.24 -23.89 65.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.914 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -88.64 -25.02 22.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.856 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 20.1 tp -52.57 -29.44 25.61 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.889 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -74.68 -36.22 62.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 22.4 mmmt -52.88 -28.8 24.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.9 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 5.1 mp -76.96 -43.24 32.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.118 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 27.1 mt -75.1 -17.8 60.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.929 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.7 mtpt -73.7 -22.82 59.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.924 179.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.4 mmmt -51.9 -52.13 52.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.911 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 23.0 t -105.64 -26.37 11.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.87 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -114.82 71.95 2.69 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.663 0.744 . . . . 0.0 110.875 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -50.25 0.48 Allowed 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.665 2.243 . . . . 0.0 112.35 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.8 m -67.56 -35.39 78.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.825 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 12.8 p -51.86 149.13 5.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.804 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 87.2 t -100.49 113.27 35.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.114 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 4.3 mp -92.51 130.85 41.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.128 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -141.08 143.43 34.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.829 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 4.7 mp -120.7 142.88 34.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.087 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 7.3 m -141.41 130.97 23.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.126 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 52.6 m-20 -101.8 111.29 23.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.856 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.2 mp -119.3 27.46 8.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.884 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 60.5 t -145.07 120.93 3.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.147 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -100.2 25.24 29.04 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.472 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -114.31 -67.19 1.01 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.745 0.307 . . . . 0.0 110.863 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -103.56 161.04 14.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.927 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -76.35 74.78 3.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.827 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 4.9 m-70 -102.68 165.18 11.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 87.8 m-85 -148.86 142.69 25.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.958 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -109.48 102.99 11.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.077 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 16.3 tp -80.09 143.86 33.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.955 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -137.11 105.14 5.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.868 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -103.13 135.47 40.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.13 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.1 m -135.88 122.81 21.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -176.28 173.0 2.21 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.865 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -101.51 42.28 1.14 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.136 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -115.83 -24.49 8.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.855 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 92.8 m-85 -95.74 26.03 4.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.878 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 29.0 m-20 -84.22 118.42 24.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.879 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 96.39 18.17 31.7 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.497 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 68.2 mt -109.68 170.7 7.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.849 0.357 . . . . 0.0 110.875 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 23.2 t -102.7 160.87 14.2 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.822 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -51.98 -30.49 25.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.901 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 50.7 mm -77.41 -44.44 30.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.136 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 91.2 m-20 -62.26 -42.44 99.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.924 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 15.2 mt-30 -64.03 -41.41 97.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.917 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -75.22 -25.19 57.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.825 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 21.5 ttmt -80.14 -44.45 19.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.925 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 14.3 mt -51.97 -54.67 26.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.91 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 19.7 m -52.51 -33.55 18.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.117 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 4.0 mmpt? -79.93 -28.43 39.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 39.7 m-20 -76.91 -42.12 40.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.929 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.3 -21.06 59.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.092 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 4.6 pp -109.67 -8.96 14.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 30.7 t -90.02 0.11 57.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.878 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -108.64 -44.78 3.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.926 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 5.7 mt -93.77 -22.97 5.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.106 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.9 mp 46.64 47.13 14.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.972 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 -51.81 -71.39 0.07 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.933 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -173.7 -174.4 0.96 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.911 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 52.08 39.53 26.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.909 179.843 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 8.1 mt -100.62 87.35 3.33 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.891 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 35.1 m-70 -139.45 -74.88 0.36 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.853 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 4.0 p -179.47 119.91 0.07 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 -179.743 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 6.1 pt -151.54 166.43 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.099 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 10.5 t -83.34 137.47 33.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.873 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 5.1 mt -120.44 120.37 62.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.137 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 34.7 tttp -101.1 140.82 34.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.917 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 19.4 p -105.72 131.68 52.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.179 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 4.6 mp -140.58 121.5 14.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.124 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 83.3 p -115.55 130.6 56.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.859 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 7.9 pt -145.34 156.03 53.86 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.636 0.732 . . . . 0.0 111.123 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--N 1.342 0.187 0 C-N-CA 122.691 2.261 . . . . 0.0 112.329 179.895 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.0 mmt . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.801 0.334 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -123.22 135.45 54.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.058 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.2 tt -102.75 150.94 6.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.148 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 37.4 m -54.33 138.81 38.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.888 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -57.57 -30.68 65.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.117 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 22.7 pt-20 -59.85 -25.23 64.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.89 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -72.26 -28.54 63.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.907 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 21.5 tp -74.14 -47.5 35.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.905 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -61.69 -37.55 84.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.873 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 31.2 mmtm -58.64 -27.02 64.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.883 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 37.8 mt -68.98 -46.95 78.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.123 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 14.4 mt -68.51 -30.73 69.62 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.931 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 21.2 mtpt -51.06 -34.99 32.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.86 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.3 mptt -51.32 -32.12 24.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.91 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.3 t -110.09 -58.49 2.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.86 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -111.17 80.62 2.48 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.627 0.727 . . . . 0.0 110.893 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -25.4 28.46 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.701 2.268 . . . . 0.0 112.29 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.2 t -87.22 -20.99 26.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.882 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.3 m -57.94 163.27 2.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.877 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 91.1 t -108.55 94.35 3.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.119 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 3.6 mp -80.7 123.02 36.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.158 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 6.7 ttmt -133.24 124.23 27.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.9 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 5.3 mp -86.59 128.08 39.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.086 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 87.8 m -139.14 138.79 37.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.115 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 60.7 m-20 -84.46 141.09 31.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.855 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 12.7 mt -115.63 -26.7 7.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.902 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 92.7 t -99.9 -68.41 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.159 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 129.1 -51.98 0.84 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.515 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -106.54 -45.57 4.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.764 0.316 . . . . 0.0 110.865 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -61.05 157.32 15.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.969 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -78.51 71.51 4.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.844 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 3.0 t-160 -108.15 166.54 10.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -159.92 113.6 2.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.917 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -94.67 100.18 12.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.082 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 34.6 tp -85.5 113.75 22.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.907 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -110.19 120.59 42.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.88 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.1 tt -104.25 139.82 24.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.139 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -132.62 112.94 12.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.884 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -177.59 -173.53 0.42 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.894 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -116.74 29.15 8.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.094 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -92.1 -2.84 56.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.912 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 5.2 p90 -124.07 21.78 8.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.847 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -54.35 -46.55 72.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.925 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -107.62 58.39 0.41 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.478 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 76.1 mt -137.79 167.19 22.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.819 0.343 . . . . 0.0 110.949 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 14.8 t -106.58 167.44 9.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.864 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -54.86 -26.13 33.36 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.903 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 40.1 mm -85.53 -41.0 15.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.141 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 8.0 m-20 -65.86 -31.42 72.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.857 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -76.54 -35.82 58.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.896 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -80.44 -30.38 37.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 9.1 ptmm? -80.47 -30.34 37.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.928 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 5.9 mt -62.8 -53.93 46.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.942 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 16.0 m -51.52 -36.12 17.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.121 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.4 -34.34 63.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.94 179.866 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 79.0 m-20 -66.15 -45.35 81.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.27 -19.4 45.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.035 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 4.1 pp -113.91 5.33 16.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.947 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 85.5 p -90.31 -37.85 13.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.842 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -94.24 -35.12 12.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.835 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 24.5 mm -76.16 -23.54 15.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.108 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.3 mm? 54.48 52.73 11.87 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.907 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 4.1 p30 -108.08 25.06 12.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.944 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.24 151.08 30.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.884 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 39.8 mmtm -76.67 -174.39 2.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.905 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.89 -25.09 62.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.984 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -51.97 161.94 0.52 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.812 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 78.4 p -129.86 155.33 46.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.854 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -143.65 169.93 10.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.135 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.3 m -80.01 146.36 32.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.867 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 3.8 mt -129.89 124.54 58.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.121 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 61.2 tttt -106.16 150.97 25.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 179.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 17.8 p -117.46 116.28 26.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.188 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 2.6 mp -133.69 144.94 34.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.154 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -118.58 154.62 32.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 2.7 pp -62.35 153.09 77.5 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.602 0.715 . . . . 0.0 111.137 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo . . . . . 0 C--N 1.342 0.204 0 C-N-CA 122.639 2.226 . . . . 0.0 112.355 179.868 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 73.9 m . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.855 0.36 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -68.72 -23.86 64.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.1 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -70.03 -19.93 63.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.876 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.619 ' O ' HD12 ' A' ' 11' ' ' ILE . 3.7 tp10 -88.22 -23.3 23.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.843 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.693 HD21 ' HG ' ' A' ' 35' ' ' LEU . 16.9 tp -51.18 -33.44 27.23 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.917 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -71.11 -39.57 71.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.904 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.418 ' HA ' ' HG3' ' A' ' 13' ' ' LYS . 16.5 tptt -51.13 -29.78 14.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.895 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.619 HD12 ' O ' ' A' ' 7' ' ' GLU . 4.1 mp -78.94 -44.95 24.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.148 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.51 HD11 HD11 ' A' ' 35' ' ' LEU . 13.0 mt -63.31 -16.2 59.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.418 ' HG3' ' HA ' ' A' ' 10' ' ' LYS . 0.5 OUTLIER -72.68 -25.2 61.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.864 179.838 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.6 ' HE2' HG21 ' A' ' 61' ' ' ILE . 7.1 mmtm -48.42 -46.42 37.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.922 179.851 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -110.74 -24.11 10.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.877 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 -132.67 74.94 74.07 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.697 0.76 . . . . 0.0 110.928 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.85 -50.45 0.45 Allowed 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.639 2.226 . . . . 0.0 112.344 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.9 m -67.01 -25.89 66.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.876 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -50.8 152.05 2.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.823 -179.802 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 60.0 t -98.93 104.52 16.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.114 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.696 HG23 HD21 ' A' ' 35' ' ' LEU . 4.3 mp -95.96 132.54 39.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.107 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.3 tppt? -148.56 136.34 20.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.856 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 5.4 mp -107.45 143.26 18.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.13 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 87.5 m -139.4 140.48 37.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.118 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -86.95 129.17 34.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 13.6 mt -100.43 -39.65 7.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.935 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 6.7 m -116.65 -26.81 2.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.141 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 56.84 34.52 65.32 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.494 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 78.9 m-20 -132.33 -58.31 0.94 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.776 0.322 . . . . 0.0 110.826 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -97.95 -175.74 3.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.895 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -77.6 64.62 2.95 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 11.1 t-160 -116.68 101.24 8.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.811 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -107.92 127.75 54.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.913 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -91.62 101.71 14.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.086 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.696 HD21 HG23 ' A' ' 21' ' ' ILE . 0.3 OUTLIER -79.89 139.06 37.27 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.916 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -133.33 108.3 8.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.83 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -106.27 135.03 46.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.136 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -134.79 124.64 25.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -171.48 -175.39 1.6 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.837 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -110.33 24.93 12.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.113 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -109.86 -15.55 14.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.879 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.624 ' HA ' HD12 ' A' ' 45' ' ' LEU . 4.1 m-85 -95.16 24.38 5.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.875 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -92.55 120.76 33.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.846 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 102.95 -24.67 29.88 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.477 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.624 HD12 ' HA ' ' A' ' 42' ' ' PHE . 9.6 mt -71.07 165.28 23.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.792 0.329 . . . . 0.0 110.976 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 37.1 t -100.16 165.94 11.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.842 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -56.04 -25.41 44.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.901 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 49.3 mm -81.59 -41.04 18.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.17 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.508 ' HB3' HD22 ' A' ' 45' ' ' LEU . 24.3 m-20 -69.07 -40.53 78.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.901 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -66.66 -39.45 88.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.913 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.556 ' NE2' HD12 ' A' ' 71' ' ' ILE . 2.3 t60 -75.68 -27.54 58.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 19.9 ttmt -80.74 -42.02 22.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.882 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 12.4 mt -51.09 -55.05 19.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.886 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.706 HG21 HD13 ' A' ' 71' ' ' ILE . 24.4 m -52.14 -33.25 16.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.123 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.588 ' HE2' HD21 ' A' ' 58' ' ' LEU . 5.7 mmpt? -80.21 -28.95 38.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.903 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 25.6 m-20 -78.03 -34.99 50.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.886 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.3 -16.77 56.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.105 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.588 HD21 ' HE2' ' A' ' 55' ' ' LYS . 3.7 pp -118.1 -5.35 10.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 43.6 t -90.11 -3.43 57.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -105.8 -44.26 4.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.872 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.6 HG21 ' HE2' ' A' ' 14' ' ' LYS . 5.0 mt -91.86 -19.66 6.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.134 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.4 HD13 ' HA ' ' A' ' 62' ' ' LEU . 4.2 mm? 57.85 40.3 26.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.924 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ASN . . . . . 0.456 ' HB2' HG23 ' A' ' 11' ' ' ILE . 18.2 m-20 -59.63 -51.4 69.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.934 179.853 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.98 155.52 29.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.892 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 17.4 mmmt -59.29 172.73 0.58 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.895 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 10.1 mp -94.09 115.0 27.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.906 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 32.7 m170 -138.32 -178.35 5.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.841 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 5.3 m -120.75 124.82 46.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.859 -179.784 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 19.5 pt -151.57 169.51 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.168 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 41.9 t -81.76 130.51 35.09 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.832 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.706 HD13 HG21 ' A' ' 54' ' ' VAL . 10.6 mt -121.92 101.7 10.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.121 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.443 ' HD3' HD11 ' A' ' 74' ' ' ILE . 58.8 tttt -85.18 137.45 33.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.873 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 27.9 p -104.61 130.93 52.54 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.151 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.443 HD11 ' HD3' ' A' ' 72' ' ' LYS . 5.3 mp -133.35 133.24 57.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.114 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 76.1 p . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.877 -179.954 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 38.3 m . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.885 0.374 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.67 -25.65 63.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.06 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -66.16 -24.04 66.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.922 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.496 ' O ' HD12 ' A' ' 11' ' ' ILE . 10.6 tm-20 -79.45 -23.95 42.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.89 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.509 HD23 ' CG1' ' A' ' 23' ' ' ILE . 39.7 tp -51.75 -36.2 46.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.89 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.42 ' HA ' HG21 ' A' ' 21' ' ' ILE . 3.1 pt-20 -72.51 -32.76 66.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.926 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 17.7 tptp -52.16 -29.37 21.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.839 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.496 HD12 ' O ' ' A' ' 7' ' ' GLU . 5.4 mp -84.2 -31.07 7.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.09 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 1.094 HD11 HD21 ' A' ' 35' ' ' LEU . 32.4 mt -83.73 -9.96 58.47 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 11.8 mtpt -79.5 -25.06 41.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.868 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.592 ' HE3' HG21 ' A' ' 61' ' ' ILE . 15.5 mmtt -52.97 -47.3 68.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 179.861 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -107.81 -30.92 8.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -118.34 67.54 6.97 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.628 0.728 . . . . 0.0 110.914 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 -50.05 0.5 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.688 2.259 . . . . 0.0 112.325 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.7 m -68.35 -27.03 65.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.856 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.43 ' OG ' HD11 ' A' ' 37' ' ' ILE . 15.3 p -60.27 146.48 43.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.853 -179.834 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 67.9 t -93.06 108.13 19.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.137 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.575 HG23 HD11 ' A' ' 35' ' ' LEU . 4.6 mp -94.4 127.28 46.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.134 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 5.1 ttmm -142.59 139.7 31.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.853 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.509 ' CG1' HD23 ' A' ' 8' ' ' LEU . 4.9 mp -106.59 146.28 13.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.149 179.85 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.682 ' HB ' ' HB3' ' A' ' 34' ' ' ALA . 1.3 m -119.9 135.25 54.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.146 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -97.73 89.86 4.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.905 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 10.6 mt -111.07 -24.17 10.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.97 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.757 HG21 ' HB3' ' A' ' 32' ' ' HIS . 98.9 t -76.63 -74.22 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.129 179.827 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 123.4 70.28 0.23 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.481 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 15.9 t0 66.37 73.73 0.36 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.782 0.325 . . . . 0.0 110.903 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.56 ' HB3' HG11 ' A' ' 27' ' ' VAL . 3.6 tm0? -159.38 163.69 35.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.869 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -57.79 -24.33 56.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.87 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.757 ' HB3' HG21 ' A' ' 27' ' ' VAL . 10.5 t60 -77.72 136.96 38.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.862 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -151.44 151.55 31.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.682 ' HB3' ' HB ' ' A' ' 24' ' ' THR . . . -98.82 106.49 18.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.055 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 1.094 HD21 HD11 ' A' ' 12' ' ' LEU . 19.8 tp -101.26 114.46 28.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.952 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -112.04 115.72 29.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.913 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.43 HD11 ' OG ' ' A' ' 19' ' ' SER . 17.2 tt -112.84 144.57 20.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.108 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 6.6 m -126.11 101.78 6.93 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -130.15 155.86 45.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.876 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -95.05 23.99 5.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.104 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 10.4 mt-30 -108.25 -18.16 13.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.923 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.566 ' HD1' HD12 ' A' ' 45' ' ' LEU . 8.2 m-85 -95.67 26.86 3.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.904 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 51.1 m-20 -86.87 56.25 3.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.874 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 158.35 -22.08 0.35 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.447 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.566 HD12 ' HD1' ' A' ' 42' ' ' PHE . 45.8 mt -62.98 176.06 0.77 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.869 0.366 . . . . 0.0 110.863 -179.853 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -104.8 158.57 16.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.912 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -52.22 -30.24 26.49 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.878 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 51.1 mm -76.57 -47.66 28.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.127 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 32.7 m-20 -61.77 -39.61 92.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.924 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -65.55 -43.54 89.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.876 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.547 ' NE2' HD12 ' A' ' 71' ' ' ILE . 1.5 t60 -72.37 -26.29 61.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.854 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 14.8 ttmt -80.34 -44.67 19.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.909 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 25.6 mt -51.57 -54.58 25.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.947 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.788 HG21 HD13 ' A' ' 71' ' ' ILE . 20.3 m -52.49 -33.46 17.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.099 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.811 ' HE2' HD21 ' A' ' 58' ' ' LEU . 5.7 mmpt? -80.03 -28.29 39.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.929 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 33.0 m-20 -77.71 -39.51 44.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.863 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.03 -19.87 54.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.124 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.811 HD21 ' HE2' ' A' ' 55' ' ' LYS . 4.5 pp -108.96 -23.48 11.69 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.918 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.476 ' N ' HD12 ' A' ' 58' ' ' LEU . 28.0 t -82.45 -26.49 32.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.898 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -89.96 -32.6 16.74 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.85 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.592 HG21 ' HE3' ' A' ' 14' ' ' LYS . 26.2 mm -89.36 -15.61 8.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.135 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.3 mm? 57.84 32.34 21.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ASN . . . . . 0.406 ' HB2' HG23 ' A' ' 11' ' ' ILE . 13.4 m-20 -74.91 -25.56 59.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.904 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.68 153.18 1.75 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.882 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.4 mmmp? -126.77 78.65 1.81 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.895 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -69.78 147.14 50.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.918 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 18.3 t-160 -64.44 -62.41 1.61 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 21.4 p -178.99 120.18 0.08 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.854 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 20.9 pt -135.77 166.83 26.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.173 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 41.6 t -80.11 122.23 26.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.832 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.788 HD13 HG21 ' A' ' 54' ' ' VAL . 17.6 mt -113.39 110.28 31.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.095 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.475 ' HD3' HD11 ' A' ' 74' ' ' ILE . 56.0 tttt -91.22 141.04 29.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.885 179.82 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 19.7 p -105.18 125.92 51.51 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.104 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.475 HD11 ' HD3' ' A' ' 72' ' ' LYS . 5.4 mp -130.49 130.1 64.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.109 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 9.1 p . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.91 -179.904 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 35.0 m . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.882 0.372 . . . . 0.0 110.846 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.754 ' HB1' HD13 ' A' ' 23' ' ' ILE . . . -54.5 -28.19 43.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.055 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 18.6 pt-20 -61.33 -20.06 62.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.896 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 14.2 tp10 -80.11 -31.37 39.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.865 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.542 HD23 ' CG1' ' A' ' 23' ' ' ILE . 49.6 tp -73.63 -37.17 65.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.911 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.597 ' HA ' HG21 ' A' ' 21' ' ' ILE . 11.2 pt-20 -69.31 -32.73 72.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.873 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 36.8 mmtt -50.08 -31.35 12.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.6 mp -70.89 -68.87 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.086 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.951 HD11 HD21 ' A' ' 35' ' ' LEU . 59.7 mt -52.41 -32.3 38.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.935 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.9 mtpt -53.57 -27.45 26.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.907 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 16.6 mmtm -52.45 -38.78 60.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 29.1 t -109.91 -48.12 3.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.827 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -112.9 75.97 2.11 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.588 0.709 . . . . 0.0 110.854 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 -47.8 0.86 Allowed 'Trans proline' 0 C--O 1.231 0.138 0 C-N-CA 122.685 2.257 . . . . 0.0 112.334 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.3 p -64.59 -27.36 68.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.861 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -51.85 158.38 1.02 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.896 -179.822 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 95.8 t -98.99 94.96 3.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.167 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.597 HG21 ' HA ' ' A' ' 9' ' ' GLU . 3.7 mp -90.26 109.84 21.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.139 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.1 ttmm -133.33 151.26 51.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.754 HD13 ' HB1' ' A' ' 5' ' ' ALA . 5.3 mp -114.1 134.83 55.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.095 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 87.7 m -133.0 142.07 48.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.14 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 16.5 p-10 -79.56 131.75 36.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.454 HD12 ' CE1' ' A' ' 32' ' ' HIS . 10.4 mt -96.22 -54.86 3.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.897 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 6.6 m -115.81 -39.25 2.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.114 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 72.73 39.61 55.04 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.471 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -117.75 -38.58 3.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.697 0.284 . . . . 0.0 110.862 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 2.0 pp0? -123.83 34.02 5.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 62.55 47.71 4.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.454 ' CE1' HD12 ' A' ' 26' ' ' LEU . 2.9 t-80 -69.68 135.85 50.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 26.8 m-85 -128.65 124.1 34.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.915 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -99.11 100.11 11.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.077 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.951 HD21 HD11 ' A' ' 12' ' ' LEU . 24.6 tp -80.63 105.55 11.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -102.21 128.28 48.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.4 HG23 ' O ' ' A' ' 37' ' ' ILE . 1.3 tt -122.57 124.11 69.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.156 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.9 t -120.47 111.74 18.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.853 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -152.61 174.45 13.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.863 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -99.76 24.98 7.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.132 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -111.01 -15.92 13.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.861 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.548 ' HA ' HD12 ' A' ' 45' ' ' LEU . 21.6 m-85 -95.55 26.01 4.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 27.8 m-80 -96.69 123.94 40.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.887 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 92.58 15.89 51.23 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.486 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.694 HD22 ' HB3' ' A' ' 49' ' ' ASN . 14.8 mt -111.4 175.95 5.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.843 0.354 . . . . 0.0 110.919 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 23.2 t -106.77 175.44 5.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.853 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -63.02 -29.31 70.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.899 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 40.7 mm -82.29 -40.97 17.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.146 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.694 ' HB3' HD22 ' A' ' 45' ' ' LEU . 26.3 m-20 -65.61 -32.67 74.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.879 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 17.1 mt-30 -77.29 -34.32 55.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.913 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.578 ' NE2' HD12 ' A' ' 71' ' ' ILE . 3.0 t60 -80.41 -29.81 37.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -80.81 -30.31 35.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.863 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 11.3 mt -62.68 -53.93 47.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.927 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.657 HG21 HD13 ' A' ' 71' ' ' ILE . 15.7 m -51.13 -36.84 16.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.159 179.817 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.428 ' HE2' HD21 ' A' ' 58' ' ' LEU . 7.0 mmpt? -73.56 -34.44 65.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.937 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 14.7 m120 -67.52 -45.11 76.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.91 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.499 ' O ' HD13 ' A' ' 61' ' ' ILE . . . -57.91 -21.04 41.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.107 179.821 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.428 HD21 ' HE2' ' A' ' 55' ' ' LYS . 4.0 pp -117.28 21.79 12.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.906 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 11.7 m -90.27 -56.99 3.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.878 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.534 ' HG2' HD12 ' A' ' 61' ' ' ILE . 5.6 pt-20 -68.02 -43.39 78.92 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.891 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.534 HD12 ' HG2' ' A' ' 60' ' ' GLU . 4.6 mp -71.75 -49.0 48.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.094 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER 63.91 42.38 6.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.901 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -51.25 -51.37 54.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.881 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 13.6 tppt? -109.22 152.42 25.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.9 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 4.0 mtpm? -128.25 143.9 51.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.923 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.5 mm? 51.66 67.38 0.97 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.886 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 34.4 p-80 -140.31 115.4 9.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.872 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 9.1 t -120.53 119.86 34.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.846 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 30.7 pt -151.42 169.98 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.143 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 2.7 t -80.36 141.97 34.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.86 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.657 HD13 HG21 ' A' ' 54' ' ' VAL . 6.5 mt -119.99 108.26 22.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.12 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.452 ' HD3' HD11 ' A' ' 74' ' ' ILE . 9.8 tttp -86.11 134.95 33.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 179.847 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 19.9 p -96.11 123.9 39.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.164 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.452 HD11 ' HD3' ' A' ' 72' ' ' LYS . 4.4 mp -131.6 127.4 59.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.145 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 73.4 p . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.846 -179.92 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 66.7 m . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.881 0.372 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 1.031 ' HB1' HD13 ' A' ' 23' ' ' ILE . . . -59.57 -29.87 68.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.041 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -63.23 -23.95 67.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.907 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 15.2 tp10 -85.94 -24.92 26.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.863 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.445 HD23 ' CG1' ' A' ' 23' ' ' ILE . 14.0 tp -64.92 -45.29 86.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.588 ' HA ' HG21 ' A' ' 21' ' ' ILE . 6.4 pt-20 -61.21 -33.21 73.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 18.6 mmtp -49.86 -32.18 13.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.431 HD12 ' N ' ' A' ' 11' ' ' ILE . 4.0 mp -74.17 -49.32 33.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.108 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.914 HD11 HD21 ' A' ' 35' ' ' LEU . 35.9 mt -70.25 -10.94 60.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.892 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.4 mtpt -87.71 -42.86 12.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 35.9 mmtt -53.99 -28.67 39.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.883 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 38.3 t -110.1 -48.45 3.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.824 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -113.28 75.55 2.31 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.629 0.728 . . . . 0.0 110.829 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 -24.63 29.51 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.731 2.287 . . . . 0.0 112.33 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 15.8 t -93.83 18.84 9.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.89 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 9.0 p -111.61 138.44 48.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.836 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 27.0 t -84.01 109.0 16.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.149 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.588 HG21 ' HA ' ' A' ' 9' ' ' GLU . 4.4 mt -95.1 131.11 42.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.143 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.0 tppt? -146.37 138.22 24.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.889 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 1.031 HD13 ' HB1' ' A' ' 5' ' ' ALA . 5.3 mp -105.61 138.44 30.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.146 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 22.5 m -140.72 135.1 31.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.121 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -89.74 132.27 35.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.865 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 15.2 mt -104.92 -46.24 4.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 26.1 m -128.46 154.29 39.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.168 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -112.5 33.8 5.48 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.484 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -132.29 -45.45 0.92 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.764 0.316 . . . . 0.0 110.889 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -100.61 153.56 19.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.884 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -78.18 60.72 2.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.849 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -104.01 117.84 35.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.823 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -110.16 125.02 52.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.93 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -91.39 102.63 15.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.039 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.914 HD21 HD11 ' A' ' 12' ' ' LEU . 51.8 tp -85.5 130.1 34.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.925 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.8 mp0 -120.91 112.02 18.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 11.3 tt -118.9 127.02 75.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.146 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 7.4 t -119.38 99.98 7.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.855 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -127.7 -179.06 4.74 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.892 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -127.06 32.56 5.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.048 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -115.45 -21.85 9.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.909 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.518 ' HA ' HD12 ' A' ' 45' ' ' LEU . 1.4 p90 -61.07 -18.63 58.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 8.6 m-80 -50.95 115.4 1.5 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.868 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 104.9 16.94 15.46 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.445 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.548 HD22 ' HB3' ' A' ' 49' ' ' ASN . 81.7 mt -125.82 179.04 5.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.825 0.345 . . . . 0.0 110.893 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 23.6 t -117.6 174.09 6.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.886 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -57.4 -23.79 51.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.935 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 46.0 mm -80.86 -51.11 16.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.137 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.548 ' HB3' HD22 ' A' ' 45' ' ' LEU . 88.0 m-20 -62.65 -35.46 79.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.869 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 24.9 mt-30 -67.88 -43.68 78.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.948 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.627 ' NE2' HD12 ' A' ' 71' ' ' ILE . 1.5 t60 -75.72 -25.33 56.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.823 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 17.8 mttm -80.77 -44.31 18.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.918 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 9.5 mt -48.74 -55.04 12.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.905 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.732 HG21 HD13 ' A' ' 71' ' ' ILE . 22.4 m -52.59 -32.3 16.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.13 179.814 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.4 mmpt? -79.92 -29.81 39.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.868 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 34.6 m120 -80.05 -28.41 39.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.938 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.93 -13.99 60.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.096 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.2 pp -118.8 -6.21 10.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.909 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 47.1 m -90.14 -30.84 17.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.858 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -94.39 -37.75 11.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.917 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.448 HG22 ' OD1' ' A' ' 63' ' ' ASN . 23.3 mm -76.91 -26.87 16.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.1 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.3 mm? 57.84 55.57 5.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.912 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ASN . . . . . 0.448 ' OD1' HG22 ' A' ' 61' ' ' ILE . 92.7 m-20 -91.58 -46.87 7.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.912 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.16 149.88 47.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.886 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.24 154.28 6.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.912 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 8.2 mp -78.28 163.63 25.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.894 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -177.38 175.92 1.39 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 179.822 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 63.4 p -106.63 120.01 40.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.865 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 21.9 pt -151.47 169.96 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.145 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.5 t -88.01 126.2 34.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.849 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.732 HD13 HG21 ' A' ' 54' ' ' VAL . 8.8 mt -117.95 116.04 50.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.107 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 5.8 tttt -97.69 135.98 38.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.913 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 19.7 p -99.1 116.01 30.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.134 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 4.9 mp -113.97 147.31 17.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.078 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.6 p . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.872 -179.925 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 40.3 m . . . . . 0 C--O 1.23 0.057 0 CA-C-O 120.893 0.377 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -60.8 -24.88 66.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.153 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -67.86 -24.87 65.29 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.898 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -79.77 -20.77 45.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.872 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.549 HD23 ' CG1' ' A' ' 23' ' ' ILE . 23.1 tp -52.84 -29.73 29.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.905 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.77 ' HA ' HG21 ' A' ' 21' ' ' ILE . 5.2 pt-20 -74.86 -33.9 62.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 27.5 mmmt -50.22 -31.23 13.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.939 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.652 HG23 ' OD1' ' A' ' 63' ' ' ASN . 4.6 mp -72.47 -68.2 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.16 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 18.9 mt -51.86 -33.08 34.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.951 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.0 mtpt -52.46 -29.14 23.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.909 179.817 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.9 mmmm -58.16 -29.54 65.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.914 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.7 t -110.01 -51.27 2.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.856 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.557 ' CB ' HD11 ' A' ' 37' ' ' ILE . 15.6 m-85 -112.64 77.04 2.27 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.676 0.75 . . . . 0.0 110.865 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 -50.1 0.49 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.706 2.271 . . . . 0.0 112.315 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.6 m -65.44 -23.33 66.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.838 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.7 m -60.7 170.24 1.53 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.875 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 84.8 t -111.35 95.98 4.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.145 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.77 HG21 ' HA ' ' A' ' 9' ' ' GLU . 6.4 mt -84.5 127.75 39.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.133 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 15.2 ttmm -150.06 154.78 38.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.856 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.549 ' CG1' HD23 ' A' ' 8' ' ' LEU . 4.0 mp -111.82 149.15 14.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.15 179.832 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.653 ' HB ' ' HB3' ' A' ' 34' ' ' ALA . 6.6 m -124.9 139.18 54.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.158 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -90.45 89.76 7.72 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.841 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 28.0 mt -127.12 28.83 5.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.926 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.501 HG11 ' HB3' ' A' ' 32' ' ' HIS . 8.9 t -140.66 156.12 23.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.119 179.833 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -90.5 43.55 2.9 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.504 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 22.9 t0 52.86 88.18 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.801 0.334 . . . . 0.0 110.877 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -158.0 46.18 0.35 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 64.22 55.16 1.5 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.881 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.501 ' HB3' HG11 ' A' ' 27' ' ' VAL . 21.0 t60 -160.48 155.83 24.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.866 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 11.7 m-85 -159.63 152.23 21.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.653 ' HB3' ' HB ' ' A' ' 24' ' ' THR . . . -100.05 99.92 10.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.107 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.433 ' HG ' HD21 ' A' ' 8' ' ' LEU . 0.4 OUTLIER -84.4 140.88 31.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.928 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -138.61 117.14 12.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.85 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.557 HD11 ' CB ' ' A' ' 16' ' ' PHE . 16.8 tt -118.12 143.82 27.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.145 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.6 m -116.98 99.86 7.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.864 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -124.29 171.69 9.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.848 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -127.12 15.52 7.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.134 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 22.6 mt-30 -103.76 -21.52 13.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.911 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 1.3 p90 -58.27 -21.81 50.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.893 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 12.9 m-80 -51.12 109.45 0.33 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.915 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 116.08 -12.85 16.94 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.49 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 80.0 mt -94.66 173.08 7.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.818 0.342 . . . . 0.0 110.968 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 19.8 t -106.41 167.03 10.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.835 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -55.61 -25.73 40.29 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.951 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 50.7 mm -81.87 -42.35 19.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.14 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 -65.22 -38.55 90.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 15.4 mt-30 -65.65 -39.64 91.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.873 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.777 ' CE1' HD12 ' A' ' 71' ' ' ILE . 5.3 t-80 -80.05 -24.67 40.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 16.5 mttm -80.19 -45.14 18.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.904 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 13.0 mt -51.29 -52.76 42.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.928 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.788 HG21 HD13 ' A' ' 71' ' ' ILE . 20.6 m -55.54 -32.31 30.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.134 179.834 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.685 ' HE2' HD21 ' A' ' 58' ' ' LEU . 5.4 mmpt? -79.99 -28.26 39.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.924 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 30.7 m120 -79.66 -38.25 34.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.88 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.86 -16.47 58.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.116 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.685 HD21 ' HE2' ' A' ' 55' ' ' LYS . 4.0 pp -113.28 -12.67 13.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 37.8 t -81.96 -25.23 35.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.886 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -93.45 -39.92 10.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.855 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 20.6 mm -76.48 -25.94 16.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.175 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.2 mm? 57.78 38.55 27.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.913 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ASN . . . . . 0.652 ' OD1' HG23 ' A' ' 11' ' ' ILE . 14.1 p30 -94.51 38.14 1.11 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.878 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.16 176.99 7.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.928 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 52.9 mtpt -106.75 161.67 14.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.941 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 7.0 mp -60.73 96.16 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.935 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -145.2 -178.44 6.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.87 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 91.1 p -149.94 120.28 7.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.821 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 21.0 pt -133.15 169.7 21.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.172 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.9 t -81.02 138.58 36.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.859 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.788 HD13 HG21 ' A' ' 54' ' ' VAL . 7.4 mt -125.88 105.96 15.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.111 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.737 ' HD3' HD11 ' A' ' 74' ' ' ILE . 24.9 tttp -90.25 133.48 34.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.874 179.848 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 11.5 p -93.95 121.55 35.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.131 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.737 HD11 ' HD3' ' A' ' 72' ' ' LYS . 4.4 mp -131.11 148.69 32.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.13 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.1 p . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.866 -179.885 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 43.3 m . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.876 0.369 . . . . 0.0 110.831 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.469 ' HB1' HG12 ' A' ' 23' ' ' ILE . . . -57.68 -26.94 62.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.08 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -66.03 -20.02 66.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.933 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 27.0 tp10 -90.22 -19.85 23.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.917 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.765 ' HA ' HD12 ' A' ' 11' ' ' ILE . 34.7 tp -51.65 -30.11 20.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.887 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.71 ' HB2' HD13 ' A' ' 21' ' ' ILE . 10.6 pt-20 -72.41 -43.28 64.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.864 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 8.7 mptt -53.05 -28.51 24.97 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.874 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.765 HD12 ' HA ' ' A' ' 8' ' ' LEU . 10.1 mt -73.04 -57.5 6.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.156 179.844 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 1.091 HD11 HD21 ' A' ' 35' ' ' LEU . 20.4 mt -65.34 -19.52 65.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.885 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.8 mtpt -70.45 -20.61 62.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.858 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 26.8 mmtt -53.14 -55.32 25.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.935 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.5 m -103.45 -23.84 13.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.841 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.433 ' CD2' HD22 ' A' ' 12' ' ' LEU . 3.2 m-85 -115.09 71.24 2.77 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.63 0.728 . . . . 0.0 110.881 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -27.11 26.95 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.654 2.236 . . . . 0.0 112.34 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.8 t -99.8 21.12 12.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.837 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.446 ' CB ' HD11 ' A' ' 37' ' ' ILE . 0.8 OUTLIER -100.37 150.88 22.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.85 -179.838 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 84.2 t -100.53 96.81 5.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.142 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.71 HD13 ' HB2' ' A' ' 9' ' ' GLU . 3.7 mp -81.54 120.58 33.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.155 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.5 tppm? -139.36 138.33 36.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.469 HG12 ' HB1' ' A' ' 5' ' ' ALA . 5.4 mp -94.73 142.69 13.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.131 179.833 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.44 ' O ' ' HB3' ' A' ' 34' ' ' ALA . 32.8 m -145.55 136.38 24.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.137 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -83.58 128.9 34.88 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.626 ' CD1' ' HB2' ' A' ' 34' ' ' ALA . 12.2 mt -103.47 -48.08 4.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.896 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 35.4 m -121.69 -34.05 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.138 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 82.2 -64.87 4.18 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.467 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 44.1 m-20 -51.98 -69.02 0.12 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.774 0.321 . . . . 0.0 110.868 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -59.99 156.14 15.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.91 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 29.2 m-20 -79.88 59.52 3.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.841 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 12.9 t60 -116.02 129.73 56.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.859 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 31.6 m-85 -116.95 124.49 49.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.931 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.626 ' HB2' ' CD1' ' A' ' 26' ' ' LEU . . . -90.03 103.81 16.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.128 179.856 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 1.091 HD21 HD11 ' A' ' 12' ' ' LEU . 21.5 tp -92.6 116.52 29.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.929 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -108.64 116.74 32.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.867 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.685 HD12 HD13 ' A' ' 12' ' ' LEU . 1.9 tt -115.64 136.12 53.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.138 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 17.9 m -129.11 129.49 45.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.855 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -163.65 171.0 16.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.904 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -97.51 32.77 2.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.105 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -116.32 -24.62 7.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -95.8 29.52 2.65 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.863 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 65.8 m-20 -77.92 -25.8 48.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.895 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -120.19 -21.8 3.34 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.454 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -51.2 164.84 0.15 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.839 0.352 . . . . 0.0 110.892 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 28.1 t -102.89 162.68 12.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.874 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -52.09 -38.1 56.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.915 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 48.7 mm -75.45 -45.16 40.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.091 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 11.1 m-20 -58.38 -50.76 72.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.872 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 20.7 mt-30 -54.93 -44.99 74.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.934 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -69.66 -23.5 63.48 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.867 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 23.0 ttmt -80.27 -46.19 16.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.87 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 79.3 mt -51.84 -54.33 30.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.927 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.894 HG21 HD13 ' A' ' 71' ' ' ILE . 16.1 m -52.13 -33.33 16.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.112 179.837 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 5.6 mmpt? -80.09 -29.43 39.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.898 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 24.0 m-20 -77.1 -37.28 54.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.913 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.558 ' O ' HD12 ' A' ' 61' ' ' ILE . . . -59.84 -19.54 51.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.089 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.759 HD22 ' HB2' ' A' ' 64' ' ' LYS . 3.8 pp -119.75 10.64 11.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.979 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 31.2 t -90.5 -34.24 15.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.834 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.51 -35.5 15.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.558 HD12 ' O ' ' A' ' 57' ' ' ALA . 3.3 mt -89.95 -16.71 8.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.125 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.5 mm? 58.32 22.79 9.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ASN . . . . . 0.571 ' HB3' HG23 ' A' ' 11' ' ' ILE . 6.8 m-20 -51.86 -68.28 0.18 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.844 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.759 ' HB2' HD22 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -53.5 150.59 6.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.908 179.947 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 31.0 mttp -122.35 -34.65 3.25 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.883 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -51.91 169.66 0.07 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.912 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 17.1 t60 -83.69 -61.1 1.92 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.909 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.8 t -156.12 152.35 27.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.86 -179.78 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 11.3 pt -152.82 170.05 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.188 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.3 t -79.96 121.34 25.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.826 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.894 HD13 HG21 ' A' ' 54' ' ' VAL . 16.9 mt -113.38 108.61 25.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.133 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.51 ' HD3' HD11 ' A' ' 74' ' ' ILE . 23.3 tttp -88.05 135.17 33.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 179.848 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 28.5 p -100.14 123.89 44.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.116 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.51 HD11 ' HD3' ' A' ' 72' ' ' LYS . 4.7 mp -124.52 117.5 50.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.106 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.1 t . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.844 -179.913 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 31.0 m . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.882 0.372 . . . . 0.0 110.808 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.588 ' HB1' ' CD1' ' A' ' 23' ' ' ILE . . . -59.58 -24.51 63.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.114 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -66.36 -24.25 66.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.902 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.608 ' O ' HD12 ' A' ' 11' ' ' ILE . 1.9 tp10 -86.87 -27.26 23.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.873 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 19.0 tp -52.1 -30.25 25.33 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.908 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.517 ' HB2' HD13 ' A' ' 21' ' ' ILE . 3.2 pt-20 -79.41 -33.38 42.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.892 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.3 mmmm -53.41 -28.42 29.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.919 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.608 HD12 ' O ' ' A' ' 7' ' ' GLU . 4.3 mp -82.3 -34.03 11.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.157 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.855 HD11 HD11 ' A' ' 35' ' ' LEU . 30.4 mt -81.41 -13.88 57.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.904 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 9.8 mtpt -75.59 -23.59 56.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.96 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.779 ' HG3' HG21 ' A' ' 61' ' ' ILE . 42.5 mmtt -51.74 -55.04 22.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.931 179.834 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 44.8 t -103.32 -29.88 10.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.843 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -116.14 70.57 4.07 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.696 0.76 . . . . 0.0 110.901 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -50.26 0.48 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.682 2.255 . . . . 0.0 112.354 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.5 m -68.2 -25.66 65.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.833 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.433 ' CB ' HD11 ' A' ' 37' ' ' ILE . 1.0 OUTLIER -52.09 151.23 3.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.861 -179.814 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 97.3 t -100.92 94.92 3.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.11 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.517 HD13 ' HB2' ' A' ' 9' ' ' GLU . 3.8 mp -83.47 112.3 20.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.127 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.5 tppp? -133.81 136.85 44.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.588 ' CD1' ' HB1' ' A' ' 5' ' ' ALA . 5.4 mp -94.61 142.9 12.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.086 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.404 ' O ' ' HB3' ' A' ' 34' ' ' ALA . 96.7 m -134.88 144.48 47.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.191 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -93.32 107.18 19.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.844 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.701 ' CD1' HG13 ' A' ' 27' ' ' VAL . 0.6 OUTLIER -103.37 -2.3 27.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.885 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.701 HG13 ' CD1' ' A' ' 26' ' ' LEU . 20.2 m -137.15 163.22 32.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.126 179.848 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -86.23 63.79 4.12 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.502 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 24.5 t0 64.18 64.5 0.73 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.771 0.32 . . . . 0.0 110.896 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -108.68 27.86 9.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.939 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 61.0 24.05 14.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -115.96 173.5 6.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.847 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 87.3 m-85 -152.69 142.77 22.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.873 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.509 ' HB2' ' CD2' ' A' ' 26' ' ' LEU . . . -105.91 121.91 45.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.104 179.848 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.855 HD11 HD11 ' A' ' 12' ' ' LEU . 0.3 OUTLIER -93.85 136.85 33.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.955 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.416 ' H ' HD23 ' A' ' 35' ' ' LEU . 9.7 mp0 -133.55 102.6 5.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.897 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.433 HD11 ' CB ' ' A' ' 19' ' ' SER . 1.4 tt -105.66 133.22 50.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.155 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.9 t -134.36 131.42 38.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.858 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -175.7 171.68 2.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -93.75 39.59 1.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.082 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -117.17 -27.64 6.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.969 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.438 ' HA ' HD12 ' A' ' 45' ' ' LEU . 24.6 m-85 -93.6 42.09 1.09 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 31.2 m-20 -90.89 -25.56 19.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.907 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -107.79 -20.67 8.3 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.456 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.534 HD13 HD12 ' A' ' 53' ' ' LEU . 5.9 mt -76.09 165.42 24.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.788 0.328 . . . . 0.0 110.91 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 15.5 t -112.47 177.69 4.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -55.27 -26.16 38.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.922 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 49.5 mm -82.37 -58.41 3.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.12 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 9.5 m-20 -57.44 -23.62 50.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.849 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 24.0 mt-30 -80.36 -31.09 37.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.919 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.676 ' CE1' HD12 ' A' ' 71' ' ' ILE . 13.6 t-80 -80.28 -29.38 38.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.855 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 7.7 ptpt -80.28 -33.25 37.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.919 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.534 HD12 HD13 ' A' ' 45' ' ' LEU . 6.6 mt -58.59 -54.6 45.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.918 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.626 HG21 HD13 ' A' ' 71' ' ' ILE . 18.9 m -52.15 -33.34 16.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.111 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.807 ' HE2' HD21 ' A' ' 58' ' ' LEU . 3.2 mmpt? -78.78 -30.25 45.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.918 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 15.2 m120 -74.33 -43.15 57.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.46 -20.48 55.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.132 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.807 HD21 ' HE2' ' A' ' 55' ' ' LYS . 4.4 pp -108.15 -14.57 14.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 42.0 t -90.0 -31.19 17.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.862 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -90.3 -34.74 15.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.856 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.779 HG21 ' HG3' ' A' ' 14' ' ' LYS . 48.0 mm -81.75 -19.92 10.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.093 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.3 mm? 57.83 54.68 5.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ASN . . . . . 0.552 ' HB2' HG23 ' A' ' 11' ' ' ILE . 15.7 m-20 -100.51 -25.75 14.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.852 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 16.7 tppt? -124.61 154.1 41.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.519 ' C ' HD12 ' A' ' 66' ' ' LEU . 30.0 mmtp -88.77 -74.27 0.47 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.893 179.827 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.519 HD12 ' C ' ' A' ' 65' ' ' LYS . 4.0 mp -155.46 130.31 9.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 2.4 t-160 -167.59 137.44 2.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.86 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 4.3 p -112.6 120.11 40.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.865 -179.769 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 21.7 pt -148.47 169.74 3.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.195 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 11.7 t -80.06 138.37 36.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.82 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.676 HD12 ' CE1' ' A' ' 51' ' ' HIS . 10.2 mt -122.12 118.19 54.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.183 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 63.8 tttp -100.64 144.62 29.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.904 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 20.5 p -111.0 126.21 54.55 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.129 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 4.8 mp -130.39 128.83 64.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.146 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 77.3 p . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.888 -179.948 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 18.7 m . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.878 0.371 . . . . 0.0 110.916 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.12 -24.26 67.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.095 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -63.81 -25.07 68.01 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.417 ' O ' HD12 ' A' ' 11' ' ' ILE . 1.6 tm-20 -71.26 -19.88 62.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.891 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.64 HD23 HG13 ' A' ' 23' ' ' ILE . 37.7 tp -54.77 -25.99 31.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.903 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.667 ' HA ' HG21 ' A' ' 21' ' ' ILE . 6.3 pt-20 -78.05 -34.58 50.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.838 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 42.2 mmtm -51.77 -32.68 31.96 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.889 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.418 ' H ' HD12 ' A' ' 11' ' ' ILE . 4.6 mp -71.69 -57.35 7.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.104 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 1.059 HD11 HD21 ' A' ' 35' ' ' LEU . 29.5 mt -60.94 -23.78 65.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.5 mtpt -63.29 -32.69 74.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.87 179.804 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 9.0 mmpt? -51.43 -31.38 22.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.895 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.3 t -110.3 -58.65 2.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.831 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.449 ' HZ ' HD13 ' A' ' 53' ' ' LEU . 9.7 m-85 -111.99 78.7 2.4 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.654 0.74 . . . . 0.0 110.868 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -48.55 0.7 Allowed 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.665 2.243 . . . . 0.0 112.323 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.8 t -60.59 -25.11 65.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.852 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.4 p -56.35 167.01 0.74 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.857 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 91.3 t -108.73 96.39 4.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.133 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.667 HG21 ' HA ' ' A' ' 9' ' ' GLU . 4.5 mp -82.26 131.83 32.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.159 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.6 ttmm -150.0 144.58 25.91 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.64 HG13 HD23 ' A' ' 8' ' ' LEU . 4.5 mp -101.4 143.39 14.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.17 179.853 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.626 ' HB ' ' HB3' ' A' ' 34' ' ' ALA . 2.0 m -128.18 134.3 49.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.113 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -94.74 115.03 27.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.881 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.941 HD11 ' HB2' ' A' ' 34' ' ' ALA . 5.0 mp -83.22 -50.13 8.74 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.899 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 6.7 m -124.47 -39.35 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.146 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 102.49 -71.28 0.32 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.498 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -52.32 -67.68 0.23 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.762 0.315 . . . . 0.0 110.838 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -53.77 154.96 3.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.907 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -77.73 60.58 2.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.87 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -109.14 120.2 41.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.854 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -123.26 113.58 19.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.896 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.941 ' HB2' HD11 ' A' ' 26' ' ' LEU . . . -93.31 99.99 12.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.145 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 1.059 HD21 HD11 ' A' ' 12' ' ' LEU . 43.9 tp -82.66 123.43 29.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -120.77 113.03 19.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 17.6 tt -117.24 145.51 22.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.119 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -128.28 123.13 33.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.855 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -146.01 177.12 9.19 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -121.63 27.69 8.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.114 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -121.18 -31.84 4.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.418 ' HA ' HD12 ' A' ' 45' ' ' LEU . 0.5 OUTLIER -64.34 -15.58 60.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.93 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 25.5 m-80 -50.93 -30.96 16.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.929 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -95.31 41.43 2.49 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.487 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.542 HD22 ' HB3' ' A' ' 49' ' ' ASN . 46.7 mt -149.84 -176.36 5.4 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.822 0.344 . . . . 0.0 110.9 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 16.0 t -121.19 174.78 6.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.843 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -56.49 -26.66 54.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.934 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.548 HG22 ' HD2' ' A' ' 52' ' ' LYS . 41.1 mm -76.77 -54.63 12.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.168 179.853 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.542 ' HB3' HD22 ' A' ' 45' ' ' LEU . 89.3 m-20 -63.66 -32.42 73.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.842 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -69.26 -42.43 75.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.957 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.58 ' NE2' HD12 ' A' ' 71' ' ' ILE . 1.8 t60 -78.32 -25.42 46.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.548 ' HD2' HG22 ' A' ' 48' ' ' ILE . 80.3 mttt -81.11 -45.63 16.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.449 HD13 ' HZ ' ' A' ' 16' ' ' PHE . 6.9 mt -49.35 -53.62 21.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.988 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.838 HG21 HD13 ' A' ' 71' ' ' ILE . 19.3 m -53.75 -31.75 20.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.14 179.779 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 6.9 mmpt? -80.02 -29.99 39.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.945 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 34.3 m120 -79.14 -35.09 42.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.921 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -57.0 -22.93 42.42 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.09 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.5 ' O ' HD12 ' A' ' 58' ' ' LEU . 3.9 pp -119.88 19.42 12.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.923 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 32.2 t -90.25 -21.52 22.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.897 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -99.2 -39.47 8.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.859 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 1.9 mp -87.42 -25.49 6.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.144 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.2 mm? 57.64 36.14 26.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.892 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 14.0 m-20 -51.48 -57.18 9.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.925 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.67 150.8 21.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.889 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 12.7 mtmt -60.41 -173.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -88.9 54.51 3.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.933 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 9.6 m80 -97.69 -176.72 3.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.847 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -144.15 120.25 10.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.82 -179.784 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -134.63 170.0 20.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.096 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 28.6 t -80.44 134.95 36.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.838 HD13 HG21 ' A' ' 54' ' ' VAL . 9.1 mt -122.7 102.89 12.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.117 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 51.8 tttt -90.13 134.75 34.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.85 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 7.5 p -95.65 130.29 42.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.144 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 4.0 mp -133.93 150.37 31.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.139 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.806 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 34.0 m . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.948 0.404 . . . . 0.0 110.827 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.15 -24.24 67.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.074 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -67.24 -23.89 65.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.914 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.543 ' O ' HD12 ' A' ' 11' ' ' ILE . 3.1 tp10 -88.64 -25.02 22.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.856 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.528 HD23 HG12 ' A' ' 23' ' ' ILE . 20.1 tp -52.57 -29.44 25.61 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.889 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.605 ' HA ' HG21 ' A' ' 21' ' ' ILE . 4.4 pt-20 -74.68 -36.22 62.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 22.4 mmmt -52.88 -28.8 24.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.9 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.543 HD12 ' O ' ' A' ' 7' ' ' GLU . 5.1 mp -76.96 -43.24 32.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.118 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.722 HD11 HD21 ' A' ' 35' ' ' LEU . 27.1 mt -75.1 -17.8 60.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.929 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.7 mtpt -73.7 -22.82 59.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.924 179.807 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.718 ' HE2' HG21 ' A' ' 61' ' ' ILE . 5.4 mmmt -51.9 -52.13 52.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.911 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 23.0 t -105.64 -26.37 11.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.87 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -114.82 71.95 2.69 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.663 0.744 . . . . 0.0 110.875 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -50.25 0.48 Allowed 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.665 2.243 . . . . 0.0 112.35 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.8 m -67.56 -35.39 78.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.825 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.47 ' OG ' HD11 ' A' ' 37' ' ' ILE . 12.8 p -51.86 149.13 5.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.804 -179.808 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 87.2 t -100.49 113.27 35.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.114 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.605 HG21 ' HA ' ' A' ' 9' ' ' GLU . 4.3 mp -92.51 130.85 41.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.128 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -141.08 143.43 34.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.829 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.528 HG12 HD23 ' A' ' 8' ' ' LEU . 4.7 mp -120.7 142.88 34.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.087 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 7.3 m -141.41 130.97 23.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.126 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 52.6 m-20 -101.8 111.29 23.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.856 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.2 mp -119.3 27.46 8.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.884 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.662 HG12 ' H ' ' A' ' 29' ' ' ASP . 60.5 t -145.07 120.93 3.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.147 179.829 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -100.2 25.24 29.04 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.472 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.662 ' H ' HG12 ' A' ' 27' ' ' VAL . 10.1 t70 -114.31 -67.19 1.01 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.745 0.307 . . . . 0.0 110.863 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -103.56 161.04 14.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.927 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -76.35 74.78 3.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.827 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 4.9 m-70 -102.68 165.18 11.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 87.8 m-85 -148.86 142.69 25.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.958 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -109.48 102.99 11.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.077 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.722 HD21 HD11 ' A' ' 12' ' ' LEU . 16.3 tp -80.09 143.86 33.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.955 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -137.11 105.14 5.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.868 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.47 HD11 ' OG ' ' A' ' 19' ' ' SER . 0.6 OUTLIER -103.13 135.47 40.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.13 179.963 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.1 m -135.88 122.81 21.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -176.28 173.0 2.21 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.865 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -101.51 42.28 1.14 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.136 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -115.83 -24.49 8.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.855 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.5 ' HA ' HD12 ' A' ' 45' ' ' LEU . 92.8 m-85 -95.74 26.03 4.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.878 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 29.0 m-20 -84.22 118.42 24.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.879 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 96.39 18.17 31.7 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.497 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.5 HD12 ' HA ' ' A' ' 42' ' ' PHE . 68.2 mt -109.68 170.7 7.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.849 0.357 . . . . 0.0 110.875 -179.885 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 23.2 t -102.7 160.87 14.2 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.822 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -51.98 -30.49 25.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.901 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 50.7 mm -77.41 -44.44 30.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.136 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 91.2 m-20 -62.26 -42.44 99.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.924 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 15.2 mt-30 -64.03 -41.41 97.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.917 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.535 ' NE2' HD12 ' A' ' 71' ' ' ILE . 1.7 t60 -75.22 -25.19 57.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.825 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 21.5 ttmt -80.14 -44.45 19.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.925 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 14.3 mt -51.97 -54.67 26.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.91 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.657 HG21 HG21 ' A' ' 71' ' ' ILE . 19.7 m -52.51 -33.55 18.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.117 179.839 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.759 ' HE2' HD21 ' A' ' 58' ' ' LEU . 4.0 mmpt? -79.93 -28.43 39.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 39.7 m-20 -76.91 -42.12 40.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.929 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.3 -21.06 59.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.092 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.759 HD21 ' HE2' ' A' ' 55' ' ' LYS . 4.6 pp -109.67 -8.96 14.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 30.7 t -90.02 0.11 57.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.878 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -108.64 -44.78 3.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.926 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.718 HG21 ' HE2' ' A' ' 14' ' ' LYS . 5.7 mt -93.77 -22.97 5.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.106 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.435 ' HA ' HD11 ' A' ' 66' ' ' LEU . 3.9 mp 46.64 47.13 14.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.972 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -51.81 -71.39 0.07 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.933 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -173.7 -174.4 0.96 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.911 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.512 ' HD3' HD13 ' A' ' 8' ' ' LEU . 0.0 OUTLIER 52.08 39.53 26.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.909 179.843 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.646 HD22 HD13 ' A' ' 58' ' ' LEU . 8.1 mt -100.62 87.35 3.33 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.891 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 35.1 m-70 -139.45 -74.88 0.36 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.853 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 4.0 p -179.47 119.91 0.07 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 -179.743 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 6.1 pt -151.54 166.43 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.099 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 10.5 t -83.34 137.47 33.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.873 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.672 HG23 HD23 ' A' ' 35' ' ' LEU . 5.1 mt -120.44 120.37 62.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.137 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.53 ' CD ' HD11 ' A' ' 74' ' ' ILE . 34.7 tttp -101.1 140.82 34.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.917 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 19.4 p -105.72 131.68 52.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.179 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.53 HD11 ' CD ' ' A' ' 72' ' ' LYS . 4.6 mp -140.58 121.5 14.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.124 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 83.3 p . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.859 -179.944 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 37.4 m . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.922 0.392 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 1.076 ' HB1' HD13 ' A' ' 23' ' ' ILE . . . -57.57 -30.68 65.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.117 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 22.7 pt-20 -59.85 -25.23 64.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.89 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -72.26 -28.54 63.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.907 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.732 HD23 HG13 ' A' ' 23' ' ' ILE . 21.5 tp -74.14 -47.5 35.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.905 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.708 ' HA ' HG21 ' A' ' 21' ' ' ILE . 10.5 pt-20 -61.69 -37.55 84.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.873 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 31.2 mmtm -58.64 -27.02 64.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.883 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.682 HG23 ' CG ' ' A' ' 63' ' ' ASN . 37.8 mt -68.98 -46.95 78.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.123 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.91 HD11 HD21 ' A' ' 35' ' ' LEU . 14.4 mt -68.51 -30.73 69.62 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.931 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 21.2 mtpt -51.06 -34.99 32.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.86 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.686 ' HG2' HG21 ' A' ' 61' ' ' ILE . 5.3 mptt -51.32 -32.12 24.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.91 179.849 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.3 t -110.09 -58.49 2.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.86 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.561 ' HZ ' HD13 ' A' ' 53' ' ' LEU . 13.4 m-85 -111.17 80.62 2.48 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.627 0.727 . . . . 0.0 110.893 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -25.4 28.46 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.701 2.268 . . . . 0.0 112.29 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.2 t -87.22 -20.99 26.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.882 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.464 ' CB ' HD11 ' A' ' 37' ' ' ILE . 2.3 m -57.94 163.27 2.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.877 -179.837 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 91.1 t -108.55 94.35 3.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.119 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.708 HG21 ' HA ' ' A' ' 9' ' ' GLU . 3.6 mp -80.7 123.02 36.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.158 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 6.7 ttmt -133.24 124.23 27.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.9 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 1.076 HD13 ' HB1' ' A' ' 5' ' ' ALA . 5.3 mp -86.59 128.08 39.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.086 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 87.8 m -139.14 138.79 37.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.115 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 60.7 m-20 -84.46 141.09 31.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.855 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.407 HD23 ' HA ' ' A' ' 26' ' ' LEU . 12.7 mt -115.63 -26.7 7.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.902 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.43 HG11 ' HB2' ' A' ' 30' ' ' GLN . 92.7 t -99.9 -68.41 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.159 179.809 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 129.1 -51.98 0.84 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.515 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -106.54 -45.57 4.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.764 0.316 . . . . 0.0 110.865 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.43 ' HB2' HG11 ' A' ' 27' ' ' VAL . 0.4 OUTLIER -61.05 157.32 15.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.969 -179.935 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -78.51 71.51 4.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.844 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 3.0 t-160 -108.15 166.54 10.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -159.92 113.6 2.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.917 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -94.67 100.18 12.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.082 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.91 HD21 HD11 ' A' ' 12' ' ' LEU . 34.6 tp -85.5 113.75 22.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.907 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -110.19 120.59 42.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.88 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.594 HD12 HD13 ' A' ' 12' ' ' LEU . 1.1 tt -104.25 139.82 24.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.139 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -132.62 112.94 12.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.884 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -177.59 -173.53 0.42 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.894 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -116.74 29.15 8.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.094 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -92.1 -2.84 56.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.912 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.497 ' HA ' HD12 ' A' ' 45' ' ' LEU . 5.2 p90 -124.07 21.78 8.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.847 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -54.35 -46.55 72.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.925 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -107.62 58.39 0.41 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.478 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.497 HD12 ' HA ' ' A' ' 42' ' ' PHE . 76.1 mt -137.79 167.19 22.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.819 0.343 . . . . 0.0 110.949 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 14.8 t -106.58 167.44 9.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.864 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -54.86 -26.13 33.36 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.903 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 40.1 mm -85.53 -41.0 15.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.141 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 8.0 m-20 -65.86 -31.42 72.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.857 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -76.54 -35.82 58.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.896 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' HIS . . . . . 0.545 ' NE2' HD12 ' A' ' 71' ' ' ILE . 2.5 t60 -80.44 -30.38 37.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 9.1 ptmm? -80.47 -30.34 37.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.928 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.561 HD13 ' HZ ' ' A' ' 16' ' ' PHE . 5.9 mt -62.8 -53.93 46.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.942 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.533 HG21 HD13 ' A' ' 71' ' ' ILE . 16.0 m -51.52 -36.12 17.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.121 179.829 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.689 ' HE2' HD21 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -74.4 -34.34 63.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.94 179.866 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 14.4 m120 -66.15 -45.35 81.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.27 -19.4 45.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.035 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.689 HD21 ' HE2' ' A' ' 55' ' ' LYS . 4.1 pp -113.91 5.33 16.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.947 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 85.5 p -90.31 -37.85 13.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.842 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -94.24 -35.12 12.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.835 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.686 HG21 ' HG2' ' A' ' 14' ' ' LYS . 24.5 mm -76.16 -23.54 15.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.108 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.3 mm? 54.48 52.73 11.87 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.907 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ASN . . . . . 0.682 ' CG ' HG23 ' A' ' 11' ' ' ILE . 4.1 p30 -108.08 25.06 12.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.944 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.643 ' HD2' HD13 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -152.24 151.08 30.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.884 179.925 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 39.8 mmtm -76.67 -174.39 2.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.905 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.89 -25.09 62.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.984 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -51.97 161.94 0.52 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.812 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 78.4 p -129.86 155.33 46.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.854 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -143.65 169.93 10.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.135 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.3 m -80.01 146.36 32.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.867 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.545 HD12 ' NE2' ' A' ' 51' ' ' HIS . 3.8 mt -129.89 124.54 58.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.121 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.68 ' CD ' HD11 ' A' ' 74' ' ' ILE . 61.2 tttt -106.16 150.97 25.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 179.819 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 17.8 p -117.46 116.28 26.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.188 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.68 HD11 ' CD ' ' A' ' 72' ' ' LYS . 2.6 mp -133.69 144.94 34.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.154 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.1 tpp . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.783 0.325 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 57.21 26.82 12.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.114 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.615 HD11 ' HG2' ' A' ' 7' ' ' GLU . 4.4 tt -59.36 151.91 4.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.128 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 73.9 m -54.85 151.34 8.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.892 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -68.72 -23.86 64.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.1 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -70.03 -19.93 63.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.876 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.619 ' O ' HD12 ' A' ' 11' ' ' ILE . 3.7 tp10 -88.22 -23.3 23.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.843 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.693 HD21 ' HG ' ' A' ' 35' ' ' LEU . 16.9 tp -51.18 -33.44 27.23 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.917 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -71.11 -39.57 71.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.904 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.418 ' HA ' ' HG3' ' A' ' 13' ' ' LYS . 16.5 tptt -51.13 -29.78 14.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.895 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.619 HD12 ' O ' ' A' ' 7' ' ' GLU . 4.1 mp -78.94 -44.95 24.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.148 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.51 HD11 HD11 ' A' ' 35' ' ' LEU . 13.0 mt -63.31 -16.2 59.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.418 ' HG3' ' HA ' ' A' ' 10' ' ' LYS . 0.5 OUTLIER -72.68 -25.2 61.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.864 179.838 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.6 ' HE2' HG21 ' A' ' 61' ' ' ILE . 7.1 mmtm -48.42 -46.42 37.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.922 179.851 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -110.74 -24.11 10.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.877 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 -132.67 74.94 74.07 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.697 0.76 . . . . 0.0 110.928 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.85 -50.45 0.45 Allowed 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.639 2.226 . . . . 0.0 112.344 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.9 m -67.01 -25.89 66.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.876 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -50.8 152.05 2.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.823 -179.802 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 60.0 t -98.93 104.52 16.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.114 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.696 HG23 HD21 ' A' ' 35' ' ' LEU . 4.3 mp -95.96 132.54 39.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.107 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.3 tppt? -148.56 136.34 20.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.856 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 5.4 mp -107.45 143.26 18.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.13 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 87.5 m -139.4 140.48 37.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.118 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -86.95 129.17 34.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 13.6 mt -100.43 -39.65 7.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.935 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 6.7 m -116.65 -26.81 2.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.141 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 56.84 34.52 65.32 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.494 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 78.9 m-20 -132.33 -58.31 0.94 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.776 0.322 . . . . 0.0 110.826 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -97.95 -175.74 3.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.895 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -77.6 64.62 2.95 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 11.1 t-160 -116.68 101.24 8.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.811 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -107.92 127.75 54.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.913 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -91.62 101.71 14.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.086 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.696 HD21 HG23 ' A' ' 21' ' ' ILE . 0.3 OUTLIER -79.89 139.06 37.27 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.916 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -133.33 108.3 8.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.83 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -106.27 135.03 46.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.136 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -134.79 124.64 25.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -171.48 -175.39 1.6 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.837 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -110.33 24.93 12.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.113 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -109.86 -15.55 14.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.879 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.624 ' HA ' HD12 ' A' ' 45' ' ' LEU . 4.1 m-85 -95.16 24.38 5.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.875 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 10.4 m-80 -92.55 120.76 33.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.846 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 102.95 -24.67 29.88 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.477 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.624 HD12 ' HA ' ' A' ' 42' ' ' PHE . 9.6 mt -71.07 165.28 23.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.792 0.329 . . . . 0.0 110.976 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 37.1 t -100.16 165.94 11.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.842 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -56.04 -25.41 44.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.901 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 49.3 mm -81.59 -41.04 18.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.17 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.508 ' HB3' HD22 ' A' ' 45' ' ' LEU . 24.3 m-20 -69.07 -40.53 78.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.901 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -66.66 -39.45 88.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.913 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.556 ' NE2' HD12 ' A' ' 71' ' ' ILE . 2.3 t60 -75.68 -27.54 58.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 19.9 ttmt -80.74 -42.02 22.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.882 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 12.4 mt -51.09 -55.05 19.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.886 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.706 HG21 HD13 ' A' ' 71' ' ' ILE . 24.4 m -52.14 -33.25 16.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.123 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.588 ' HE2' HD21 ' A' ' 58' ' ' LEU . 5.7 mmpt? -80.21 -28.95 38.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.903 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 25.6 m-20 -78.03 -34.99 50.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.886 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.3 -16.77 56.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.105 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.588 HD21 ' HE2' ' A' ' 55' ' ' LYS . 3.7 pp -118.1 -5.35 10.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 43.6 t -90.11 -3.43 57.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -105.8 -44.26 4.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.872 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.6 HG21 ' HE2' ' A' ' 14' ' ' LYS . 5.0 mt -91.86 -19.66 6.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.134 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.4 HD13 ' HA ' ' A' ' 62' ' ' LEU . 4.2 mm? 57.85 40.3 26.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.924 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ASN . . . . . 0.456 ' HB2' HG23 ' A' ' 11' ' ' ILE . 18.2 m-20 -59.63 -51.4 69.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.934 179.853 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.449 ' NZ ' HG22 ' A' ' 3' ' ' ILE . 0.0 OUTLIER -116.98 155.52 29.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.892 179.922 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 17.4 mmmt -59.29 172.73 0.58 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.895 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 10.1 mp -94.09 115.0 27.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.906 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 32.7 m170 -138.32 -178.35 5.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.841 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 5.3 m -120.75 124.82 46.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.859 -179.784 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 19.5 pt -151.57 169.51 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.168 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 41.9 t -81.76 130.51 35.09 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.832 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.706 HD13 HG21 ' A' ' 54' ' ' VAL . 10.6 mt -121.92 101.7 10.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.121 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.443 ' HD3' HD11 ' A' ' 74' ' ' ILE . 58.8 tttt -85.18 137.45 33.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.873 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 27.9 p -104.61 130.93 52.54 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.151 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.443 HD11 ' HD3' ' A' ' 72' ' ' LYS . 5.3 mp -133.35 133.24 57.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.114 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.567 ' CB ' HD12 ' A' ' 76' ' ' ILE . 76.1 p -126.13 157.7 37.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.877 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.567 HD12 ' CB ' ' A' ' 75' ' ' SER . 5.0 mp 58.01 73.67 0.72 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.624 0.725 . . . . 0.0 111.125 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--N 1.342 0.207 0 C-N-CA 122.651 2.234 . . . . 0.0 112.365 179.894 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.4 mmt . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.781 0.324 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -97.52 152.2 19.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.106 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.453 HD11 ' HG3' ' A' ' 7' ' ' GLU . 5.7 tt -104.09 150.86 6.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.079 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 38.3 m -52.36 138.23 27.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.89 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.67 -25.65 63.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.06 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -66.16 -24.04 66.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.922 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.496 ' O ' HD12 ' A' ' 11' ' ' ILE . 10.6 tm-20 -79.45 -23.95 42.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.89 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.509 HD23 ' CG1' ' A' ' 23' ' ' ILE . 39.7 tp -51.75 -36.2 46.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.89 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.42 ' HA ' HG21 ' A' ' 21' ' ' ILE . 3.1 pt-20 -72.51 -32.76 66.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.926 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 17.7 tptp -52.16 -29.37 21.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.839 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.496 HD12 ' O ' ' A' ' 7' ' ' GLU . 5.4 mp -84.2 -31.07 7.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.09 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 1.094 HD11 HD21 ' A' ' 35' ' ' LEU . 32.4 mt -83.73 -9.96 58.47 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 11.8 mtpt -79.5 -25.06 41.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.868 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.592 ' HE3' HG21 ' A' ' 61' ' ' ILE . 15.5 mmtt -52.97 -47.3 68.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 179.861 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -107.81 -30.92 8.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -118.34 67.54 6.97 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.628 0.728 . . . . 0.0 110.914 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 -50.05 0.5 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.688 2.259 . . . . 0.0 112.325 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.7 m -68.35 -27.03 65.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.856 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.43 ' OG ' HD11 ' A' ' 37' ' ' ILE . 15.3 p -60.27 146.48 43.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.853 -179.834 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 67.9 t -93.06 108.13 19.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.137 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.575 HG23 HD11 ' A' ' 35' ' ' LEU . 4.6 mp -94.4 127.28 46.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.134 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 5.1 ttmm -142.59 139.7 31.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.853 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.509 ' CG1' HD23 ' A' ' 8' ' ' LEU . 4.9 mp -106.59 146.28 13.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.149 179.85 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.682 ' HB ' ' HB3' ' A' ' 34' ' ' ALA . 1.3 m -119.9 135.25 54.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.146 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -97.73 89.86 4.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.905 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 10.6 mt -111.07 -24.17 10.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.97 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.757 HG21 ' HB3' ' A' ' 32' ' ' HIS . 98.9 t -76.63 -74.22 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.129 179.827 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 123.4 70.28 0.23 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.481 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 15.9 t0 66.37 73.73 0.36 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.782 0.325 . . . . 0.0 110.903 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.56 ' HB3' HG11 ' A' ' 27' ' ' VAL . 3.6 tm0? -159.38 163.69 35.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.869 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -57.79 -24.33 56.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.87 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.757 ' HB3' HG21 ' A' ' 27' ' ' VAL . 10.5 t60 -77.72 136.96 38.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.862 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -151.44 151.55 31.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.682 ' HB3' ' HB ' ' A' ' 24' ' ' THR . . . -98.82 106.49 18.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.055 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 1.094 HD21 HD11 ' A' ' 12' ' ' LEU . 19.8 tp -101.26 114.46 28.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.952 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -112.04 115.72 29.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.913 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.43 HD11 ' OG ' ' A' ' 19' ' ' SER . 17.2 tt -112.84 144.57 20.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.108 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 6.6 m -126.11 101.78 6.93 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -130.15 155.86 45.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.876 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -95.05 23.99 5.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.104 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 10.4 mt-30 -108.25 -18.16 13.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.923 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.566 ' HD1' HD12 ' A' ' 45' ' ' LEU . 8.2 m-85 -95.67 26.86 3.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.904 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 51.1 m-20 -86.87 56.25 3.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.874 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 158.35 -22.08 0.35 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.447 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.566 HD12 ' HD1' ' A' ' 42' ' ' PHE . 45.8 mt -62.98 176.06 0.77 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.869 0.366 . . . . 0.0 110.863 -179.853 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -104.8 158.57 16.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.912 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -52.22 -30.24 26.49 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.878 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 51.1 mm -76.57 -47.66 28.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.127 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 32.7 m-20 -61.77 -39.61 92.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.924 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -65.55 -43.54 89.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.876 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.547 ' NE2' HD12 ' A' ' 71' ' ' ILE . 1.5 t60 -72.37 -26.29 61.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.854 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 14.8 ttmt -80.34 -44.67 19.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.909 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 25.6 mt -51.57 -54.58 25.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.947 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.788 HG21 HD13 ' A' ' 71' ' ' ILE . 20.3 m -52.49 -33.46 17.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.099 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.811 ' HE2' HD21 ' A' ' 58' ' ' LEU . 5.7 mmpt? -80.03 -28.29 39.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.929 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 33.0 m-20 -77.71 -39.51 44.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.863 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.03 -19.87 54.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.124 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.811 HD21 ' HE2' ' A' ' 55' ' ' LYS . 4.5 pp -108.96 -23.48 11.69 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.918 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.476 ' N ' HD12 ' A' ' 58' ' ' LEU . 28.0 t -82.45 -26.49 32.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.898 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -89.96 -32.6 16.74 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.85 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.592 HG21 ' HE3' ' A' ' 14' ' ' LYS . 26.2 mm -89.36 -15.61 8.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.135 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.3 mm? 57.84 32.34 21.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ASN . . . . . 0.406 ' HB2' HG23 ' A' ' 11' ' ' ILE . 13.4 m-20 -74.91 -25.56 59.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.904 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.68 153.18 1.75 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.882 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.4 mmmp? -126.77 78.65 1.81 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.895 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -69.78 147.14 50.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.918 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 18.3 t-160 -64.44 -62.41 1.61 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 21.4 p -178.99 120.18 0.08 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.854 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 20.9 pt -135.77 166.83 26.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.173 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 41.6 t -80.11 122.23 26.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.832 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.788 HD13 HG21 ' A' ' 54' ' ' VAL . 17.6 mt -113.39 110.28 31.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.095 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.475 ' HD3' HD11 ' A' ' 74' ' ' ILE . 56.0 tttt -91.22 141.04 29.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.885 179.82 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 19.7 p -105.18 125.92 51.51 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.104 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.475 HD11 ' HD3' ' A' ' 72' ' ' LYS . 5.4 mp -130.49 130.1 64.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.109 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 9.1 p -137.86 145.55 42.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.91 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 7.1 pt -146.71 155.96 48.44 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.652 0.739 . . . . 0.0 111.134 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--N 1.341 0.177 0 C-N-CA 122.75 2.3 . . . . 0.0 112.32 179.881 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.1 ptt? . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.799 0.333 . . . . 0.0 110.837 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -115.43 153.24 31.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.106 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.4 tt -138.26 150.81 24.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.109 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 35.0 m -58.04 135.37 56.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.846 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.754 ' HB1' HD13 ' A' ' 23' ' ' ILE . . . -54.5 -28.19 43.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.055 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 18.6 pt-20 -61.33 -20.06 62.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.896 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 14.2 tp10 -80.11 -31.37 39.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.865 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.542 HD23 ' CG1' ' A' ' 23' ' ' ILE . 49.6 tp -73.63 -37.17 65.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.911 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.597 ' HA ' HG21 ' A' ' 21' ' ' ILE . 11.2 pt-20 -69.31 -32.73 72.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.873 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 36.8 mmtt -50.08 -31.35 12.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.6 mp -70.89 -68.87 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.086 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.951 HD11 HD21 ' A' ' 35' ' ' LEU . 59.7 mt -52.41 -32.3 38.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.935 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.9 mtpt -53.57 -27.45 26.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.907 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 16.6 mmtm -52.45 -38.78 60.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 29.1 t -109.91 -48.12 3.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.827 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -112.9 75.97 2.11 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.588 0.709 . . . . 0.0 110.854 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 -47.8 0.86 Allowed 'Trans proline' 0 C--O 1.231 0.138 0 C-N-CA 122.685 2.257 . . . . 0.0 112.334 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.3 p -64.59 -27.36 68.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.861 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -51.85 158.38 1.02 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.896 -179.822 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 95.8 t -98.99 94.96 3.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.167 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.597 HG21 ' HA ' ' A' ' 9' ' ' GLU . 3.7 mp -90.26 109.84 21.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.139 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.1 ttmm -133.33 151.26 51.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.754 HD13 ' HB1' ' A' ' 5' ' ' ALA . 5.3 mp -114.1 134.83 55.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.095 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 87.7 m -133.0 142.07 48.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.14 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 16.5 p-10 -79.56 131.75 36.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.454 HD12 ' CE1' ' A' ' 32' ' ' HIS . 10.4 mt -96.22 -54.86 3.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.897 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 6.6 m -115.81 -39.25 2.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.114 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 72.73 39.61 55.04 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.471 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -117.75 -38.58 3.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.697 0.284 . . . . 0.0 110.862 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 2.0 pp0? -123.83 34.02 5.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 62.55 47.71 4.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.454 ' CE1' HD12 ' A' ' 26' ' ' LEU . 2.9 t-80 -69.68 135.85 50.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 26.8 m-85 -128.65 124.1 34.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.915 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -99.11 100.11 11.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.077 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.951 HD21 HD11 ' A' ' 12' ' ' LEU . 24.6 tp -80.63 105.55 11.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -102.21 128.28 48.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.4 HG23 ' O ' ' A' ' 37' ' ' ILE . 1.3 tt -122.57 124.11 69.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.156 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.9 t -120.47 111.74 18.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.853 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -152.61 174.45 13.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.863 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -99.76 24.98 7.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.132 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -111.01 -15.92 13.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.861 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.548 ' HA ' HD12 ' A' ' 45' ' ' LEU . 21.6 m-85 -95.55 26.01 4.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 27.8 m-80 -96.69 123.94 40.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.887 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 92.58 15.89 51.23 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.486 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.694 HD22 ' HB3' ' A' ' 49' ' ' ASN . 14.8 mt -111.4 175.95 5.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.843 0.354 . . . . 0.0 110.919 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 23.2 t -106.77 175.44 5.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.853 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -63.02 -29.31 70.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.899 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 40.7 mm -82.29 -40.97 17.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.146 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.694 ' HB3' HD22 ' A' ' 45' ' ' LEU . 26.3 m-20 -65.61 -32.67 74.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.879 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 17.1 mt-30 -77.29 -34.32 55.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.913 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.578 ' NE2' HD12 ' A' ' 71' ' ' ILE . 3.0 t60 -80.41 -29.81 37.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -80.81 -30.31 35.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.863 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 11.3 mt -62.68 -53.93 47.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.927 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.657 HG21 HD13 ' A' ' 71' ' ' ILE . 15.7 m -51.13 -36.84 16.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.159 179.817 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.428 ' HE2' HD21 ' A' ' 58' ' ' LEU . 7.0 mmpt? -73.56 -34.44 65.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.937 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 14.7 m120 -67.52 -45.11 76.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.91 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.499 ' O ' HD13 ' A' ' 61' ' ' ILE . . . -57.91 -21.04 41.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.107 179.821 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.428 HD21 ' HE2' ' A' ' 55' ' ' LYS . 4.0 pp -117.28 21.79 12.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.906 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 11.7 m -90.27 -56.99 3.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.878 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.534 ' HG2' HD12 ' A' ' 61' ' ' ILE . 5.6 pt-20 -68.02 -43.39 78.92 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.891 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.534 HD12 ' HG2' ' A' ' 60' ' ' GLU . 4.6 mp -71.75 -49.0 48.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.094 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER 63.91 42.38 6.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.901 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -51.25 -51.37 54.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.881 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 13.6 tppt? -109.22 152.42 25.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.9 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 4.0 mtpm? -128.25 143.9 51.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.923 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.5 mm? 51.66 67.38 0.97 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.886 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 34.4 p-80 -140.31 115.4 9.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.872 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 9.1 t -120.53 119.86 34.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.846 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 30.7 pt -151.42 169.98 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.143 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 2.7 t -80.36 141.97 34.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.86 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.657 HD13 HG21 ' A' ' 54' ' ' VAL . 6.5 mt -119.99 108.26 22.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.12 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.452 ' HD3' HD11 ' A' ' 74' ' ' ILE . 9.8 tttp -86.11 134.95 33.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 179.847 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 19.9 p -96.11 123.9 39.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.164 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.452 HD11 ' HD3' ' A' ' 72' ' ' LYS . 4.4 mp -131.6 127.4 59.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.145 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 73.4 p -117.96 149.23 41.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.846 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.492 HG23 ' O ' ' A' ' 76' ' ' ILE . 4.5 tt -177.45 78.11 0.24 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.62 0.724 . . . . 0.0 111.126 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--N 1.341 0.169 0 C-N-CA 122.729 2.286 . . . . 0.0 112.301 179.916 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.7 mmt . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.787 0.327 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -92.82 132.96 36.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.082 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.527 HD11 ' HG2' ' A' ' 7' ' ' GLU . 6.9 tt -125.25 151.35 30.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.127 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 66.7 m -51.95 140.4 20.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.87 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 1.031 ' HB1' HD13 ' A' ' 23' ' ' ILE . . . -59.57 -29.87 68.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.041 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -63.23 -23.95 67.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.907 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.527 ' HG2' HD11 ' A' ' 3' ' ' ILE . 15.2 tp10 -85.94 -24.92 26.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.863 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.445 HD23 ' CG1' ' A' ' 23' ' ' ILE . 14.0 tp -64.92 -45.29 86.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.588 ' HA ' HG21 ' A' ' 21' ' ' ILE . 6.4 pt-20 -61.21 -33.21 73.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 18.6 mmtp -49.86 -32.18 13.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.431 HD12 ' N ' ' A' ' 11' ' ' ILE . 4.0 mp -74.17 -49.32 33.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.108 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.914 HD11 HD21 ' A' ' 35' ' ' LEU . 35.9 mt -70.25 -10.94 60.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.892 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.4 mtpt -87.71 -42.86 12.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 35.9 mmtt -53.99 -28.67 39.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.883 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 38.3 t -110.1 -48.45 3.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.824 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -113.28 75.55 2.31 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.629 0.728 . . . . 0.0 110.829 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 -24.63 29.51 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.731 2.287 . . . . 0.0 112.33 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 15.8 t -93.83 18.84 9.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.89 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 9.0 p -111.61 138.44 48.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.836 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 27.0 t -84.01 109.0 16.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.149 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.588 HG21 ' HA ' ' A' ' 9' ' ' GLU . 4.4 mt -95.1 131.11 42.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.143 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.0 tppt? -146.37 138.22 24.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.889 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 1.031 HD13 ' HB1' ' A' ' 5' ' ' ALA . 5.3 mp -105.61 138.44 30.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.146 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 22.5 m -140.72 135.1 31.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.121 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -89.74 132.27 35.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.865 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 15.2 mt -104.92 -46.24 4.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 26.1 m -128.46 154.29 39.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.168 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -112.5 33.8 5.48 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.484 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -132.29 -45.45 0.92 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.764 0.316 . . . . 0.0 110.889 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -100.61 153.56 19.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.884 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -78.18 60.72 2.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.849 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -104.01 117.84 35.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.823 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -110.16 125.02 52.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.93 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -91.39 102.63 15.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.039 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.914 HD21 HD11 ' A' ' 12' ' ' LEU . 51.8 tp -85.5 130.1 34.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.925 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.8 mp0 -120.91 112.02 18.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 11.3 tt -118.9 127.02 75.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.146 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 7.4 t -119.38 99.98 7.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.855 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -127.7 -179.06 4.74 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.892 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -127.06 32.56 5.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.048 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -115.45 -21.85 9.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.909 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.518 ' HA ' HD12 ' A' ' 45' ' ' LEU . 1.4 p90 -61.07 -18.63 58.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 8.6 m-80 -50.95 115.4 1.5 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.868 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 104.9 16.94 15.46 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.445 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.548 HD22 ' HB3' ' A' ' 49' ' ' ASN . 81.7 mt -125.82 179.04 5.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.825 0.345 . . . . 0.0 110.893 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 23.6 t -117.6 174.09 6.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.886 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -57.4 -23.79 51.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.935 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 46.0 mm -80.86 -51.11 16.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.137 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.548 ' HB3' HD22 ' A' ' 45' ' ' LEU . 88.0 m-20 -62.65 -35.46 79.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.869 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 24.9 mt-30 -67.88 -43.68 78.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.948 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.627 ' NE2' HD12 ' A' ' 71' ' ' ILE . 1.5 t60 -75.72 -25.33 56.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.823 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 17.8 mttm -80.77 -44.31 18.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.918 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 9.5 mt -48.74 -55.04 12.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.905 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.732 HG21 HD13 ' A' ' 71' ' ' ILE . 22.4 m -52.59 -32.3 16.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.13 179.814 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.4 mmpt? -79.92 -29.81 39.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.868 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 34.6 m120 -80.05 -28.41 39.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.938 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.93 -13.99 60.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.096 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.2 pp -118.8 -6.21 10.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.909 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 47.1 m -90.14 -30.84 17.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.858 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -94.39 -37.75 11.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.917 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.448 HG22 ' OD1' ' A' ' 63' ' ' ASN . 23.3 mm -76.91 -26.87 16.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.1 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.3 mm? 57.84 55.57 5.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.912 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ASN . . . . . 0.448 ' OD1' HG22 ' A' ' 61' ' ' ILE . 92.7 m-20 -91.58 -46.87 7.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.912 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.16 149.88 47.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.886 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.24 154.28 6.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.912 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 8.2 mp -78.28 163.63 25.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.894 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -177.38 175.92 1.39 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 179.822 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 63.4 p -106.63 120.01 40.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.865 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 21.9 pt -151.47 169.96 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.145 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.5 t -88.01 126.2 34.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.849 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.732 HD13 HG21 ' A' ' 54' ' ' VAL . 8.8 mt -117.95 116.04 50.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.107 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 5.8 tttt -97.69 135.98 38.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.913 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 19.7 p -99.1 116.01 30.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.134 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 4.9 mp -113.97 147.31 17.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.078 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.6 p -119.37 146.23 45.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.872 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.495 HG23 ' O ' ' A' ' 76' ' ' ILE . 4.3 tt -133.68 78.2 62.11 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.659 0.742 . . . . 0.0 111.124 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--N 1.342 0.187 0 C-N-CA 122.699 2.266 . . . . 0.0 112.351 179.876 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.4 tpt . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.776 0.322 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -104.22 -62.98 1.25 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.08 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.8 tt -99.3 151.41 4.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.113 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 40.3 m -53.08 140.52 25.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.889 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -60.8 -24.88 66.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.153 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -67.86 -24.87 65.29 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.898 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -79.77 -20.77 45.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.872 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.549 HD23 ' CG1' ' A' ' 23' ' ' ILE . 23.1 tp -52.84 -29.73 29.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.905 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.77 ' HA ' HG21 ' A' ' 21' ' ' ILE . 5.2 pt-20 -74.86 -33.9 62.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 27.5 mmmt -50.22 -31.23 13.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.939 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.652 HG23 ' OD1' ' A' ' 63' ' ' ASN . 4.6 mp -72.47 -68.2 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.16 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 18.9 mt -51.86 -33.08 34.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.951 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.0 mtpt -52.46 -29.14 23.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.909 179.817 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.9 mmmm -58.16 -29.54 65.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.914 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.7 t -110.01 -51.27 2.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.856 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.557 ' CB ' HD11 ' A' ' 37' ' ' ILE . 15.6 m-85 -112.64 77.04 2.27 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.676 0.75 . . . . 0.0 110.865 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 -50.1 0.49 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.706 2.271 . . . . 0.0 112.315 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.6 m -65.44 -23.33 66.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.838 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.7 m -60.7 170.24 1.53 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.875 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 84.8 t -111.35 95.98 4.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.145 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.77 HG21 ' HA ' ' A' ' 9' ' ' GLU . 6.4 mt -84.5 127.75 39.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.133 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 15.2 ttmm -150.06 154.78 38.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.856 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.549 ' CG1' HD23 ' A' ' 8' ' ' LEU . 4.0 mp -111.82 149.15 14.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.15 179.832 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.653 ' HB ' ' HB3' ' A' ' 34' ' ' ALA . 6.6 m -124.9 139.18 54.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.158 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -90.45 89.76 7.72 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.841 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 28.0 mt -127.12 28.83 5.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.926 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.501 HG11 ' HB3' ' A' ' 32' ' ' HIS . 8.9 t -140.66 156.12 23.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.119 179.833 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -90.5 43.55 2.9 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.504 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 22.9 t0 52.86 88.18 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.801 0.334 . . . . 0.0 110.877 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -158.0 46.18 0.35 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 64.22 55.16 1.5 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.881 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.501 ' HB3' HG11 ' A' ' 27' ' ' VAL . 21.0 t60 -160.48 155.83 24.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.866 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 11.7 m-85 -159.63 152.23 21.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.653 ' HB3' ' HB ' ' A' ' 24' ' ' THR . . . -100.05 99.92 10.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.107 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.433 ' HG ' HD21 ' A' ' 8' ' ' LEU . 0.4 OUTLIER -84.4 140.88 31.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.928 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -138.61 117.14 12.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.85 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.557 HD11 ' CB ' ' A' ' 16' ' ' PHE . 16.8 tt -118.12 143.82 27.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.145 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.6 m -116.98 99.86 7.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.864 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -124.29 171.69 9.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.848 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.412 ' HB2' HG12 ' A' ' 76' ' ' ILE . . . -127.12 15.52 7.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.134 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 22.6 mt-30 -103.76 -21.52 13.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.911 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 1.3 p90 -58.27 -21.81 50.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.893 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 12.9 m-80 -51.12 109.45 0.33 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.915 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 116.08 -12.85 16.94 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.49 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 80.0 mt -94.66 173.08 7.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.818 0.342 . . . . 0.0 110.968 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 19.8 t -106.41 167.03 10.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.835 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -55.61 -25.73 40.29 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.951 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 50.7 mm -81.87 -42.35 19.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.14 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 -65.22 -38.55 90.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 15.4 mt-30 -65.65 -39.64 91.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.873 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.777 ' CE1' HD12 ' A' ' 71' ' ' ILE . 5.3 t-80 -80.05 -24.67 40.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 16.5 mttm -80.19 -45.14 18.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.904 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 13.0 mt -51.29 -52.76 42.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.928 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.788 HG21 HD13 ' A' ' 71' ' ' ILE . 20.6 m -55.54 -32.31 30.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.134 179.834 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.685 ' HE2' HD21 ' A' ' 58' ' ' LEU . 5.4 mmpt? -79.99 -28.26 39.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.924 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 30.7 m120 -79.66 -38.25 34.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.88 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.86 -16.47 58.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.116 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.685 HD21 ' HE2' ' A' ' 55' ' ' LYS . 4.0 pp -113.28 -12.67 13.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 37.8 t -81.96 -25.23 35.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.886 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -93.45 -39.92 10.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.855 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 20.6 mm -76.48 -25.94 16.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.175 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.2 mm? 57.78 38.55 27.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.913 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ASN . . . . . 0.652 ' OD1' HG23 ' A' ' 11' ' ' ILE . 14.1 p30 -94.51 38.14 1.11 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.878 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.16 176.99 7.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.928 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 52.9 mtpt -106.75 161.67 14.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.941 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 7.0 mp -60.73 96.16 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.935 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -145.2 -178.44 6.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.87 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 91.1 p -149.94 120.28 7.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.821 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 21.0 pt -133.15 169.7 21.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.172 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.9 t -81.02 138.58 36.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.859 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.788 HD13 HG21 ' A' ' 54' ' ' VAL . 7.4 mt -125.88 105.96 15.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.111 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.737 ' HD3' HD11 ' A' ' 74' ' ' ILE . 24.9 tttp -90.25 133.48 34.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.874 179.848 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 11.5 p -93.95 121.55 35.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.131 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.737 HD11 ' HD3' ' A' ' 72' ' ' LYS . 4.4 mp -131.11 148.69 32.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.13 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.1 p -110.39 146.83 35.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.866 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.412 HG12 ' HB2' ' A' ' 40' ' ' ALA . 6.0 pt -51.53 155.73 2.53 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.637 0.732 . . . . 0.0 111.123 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--N 1.342 0.195 0 C-N-CA 122.658 2.238 . . . . 0.0 112.357 179.891 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.4 mmt . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.765 0.317 . . . . 0.0 110.864 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -90.01 -58.25 2.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.107 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.465 HD11 ' HG2' ' A' ' 7' ' ' GLU . 6.8 tt -157.7 152.29 7.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.131 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 43.3 m -52.97 137.45 32.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.831 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.469 ' HB1' HG12 ' A' ' 23' ' ' ILE . . . -57.68 -26.94 62.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.08 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -66.03 -20.02 66.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.933 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.465 ' HG2' HD11 ' A' ' 3' ' ' ILE . 27.0 tp10 -90.22 -19.85 23.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.917 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.765 ' HA ' HD12 ' A' ' 11' ' ' ILE . 34.7 tp -51.65 -30.11 20.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.887 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.71 ' HB2' HD13 ' A' ' 21' ' ' ILE . 10.6 pt-20 -72.41 -43.28 64.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.864 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 8.7 mptt -53.05 -28.51 24.97 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.874 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.765 HD12 ' HA ' ' A' ' 8' ' ' LEU . 10.1 mt -73.04 -57.5 6.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.156 179.844 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 1.091 HD11 HD21 ' A' ' 35' ' ' LEU . 20.4 mt -65.34 -19.52 65.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.885 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.8 mtpt -70.45 -20.61 62.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.858 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 26.8 mmtt -53.14 -55.32 25.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.935 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.5 m -103.45 -23.84 13.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.841 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.433 ' CD2' HD22 ' A' ' 12' ' ' LEU . 3.2 m-85 -115.09 71.24 2.77 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.63 0.728 . . . . 0.0 110.881 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -27.11 26.95 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.654 2.236 . . . . 0.0 112.34 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.8 t -99.8 21.12 12.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.837 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.446 ' CB ' HD11 ' A' ' 37' ' ' ILE . 0.8 OUTLIER -100.37 150.88 22.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.85 -179.838 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 84.2 t -100.53 96.81 5.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.142 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.71 HD13 ' HB2' ' A' ' 9' ' ' GLU . 3.7 mp -81.54 120.58 33.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.155 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.5 tppm? -139.36 138.33 36.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.469 HG12 ' HB1' ' A' ' 5' ' ' ALA . 5.4 mp -94.73 142.69 13.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.131 179.833 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.44 ' O ' ' HB3' ' A' ' 34' ' ' ALA . 32.8 m -145.55 136.38 24.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.137 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -83.58 128.9 34.88 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.626 ' CD1' ' HB2' ' A' ' 34' ' ' ALA . 12.2 mt -103.47 -48.08 4.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.896 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 35.4 m -121.69 -34.05 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.138 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 82.2 -64.87 4.18 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.467 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 44.1 m-20 -51.98 -69.02 0.12 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.774 0.321 . . . . 0.0 110.868 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -59.99 156.14 15.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.91 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 29.2 m-20 -79.88 59.52 3.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.841 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 12.9 t60 -116.02 129.73 56.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.859 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 31.6 m-85 -116.95 124.49 49.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.931 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.626 ' HB2' ' CD1' ' A' ' 26' ' ' LEU . . . -90.03 103.81 16.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.128 179.856 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 1.091 HD21 HD11 ' A' ' 12' ' ' LEU . 21.5 tp -92.6 116.52 29.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.929 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -108.64 116.74 32.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.867 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.685 HD12 HD13 ' A' ' 12' ' ' LEU . 1.9 tt -115.64 136.12 53.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.138 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 17.9 m -129.11 129.49 45.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.855 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -163.65 171.0 16.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.904 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -97.51 32.77 2.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.105 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -116.32 -24.62 7.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -95.8 29.52 2.65 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.863 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 65.8 m-20 -77.92 -25.8 48.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.895 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -120.19 -21.8 3.34 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.454 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -51.2 164.84 0.15 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.839 0.352 . . . . 0.0 110.892 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 28.1 t -102.89 162.68 12.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.874 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -52.09 -38.1 56.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.915 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 48.7 mm -75.45 -45.16 40.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.091 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 11.1 m-20 -58.38 -50.76 72.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.872 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 20.7 mt-30 -54.93 -44.99 74.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.934 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -69.66 -23.5 63.48 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.867 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 23.0 ttmt -80.27 -46.19 16.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.87 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 79.3 mt -51.84 -54.33 30.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.927 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.894 HG21 HD13 ' A' ' 71' ' ' ILE . 16.1 m -52.13 -33.33 16.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.112 179.837 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 5.6 mmpt? -80.09 -29.43 39.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.898 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 24.0 m-20 -77.1 -37.28 54.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.913 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.558 ' O ' HD12 ' A' ' 61' ' ' ILE . . . -59.84 -19.54 51.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.089 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.759 HD22 ' HB2' ' A' ' 64' ' ' LYS . 3.8 pp -119.75 10.64 11.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.979 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 31.2 t -90.5 -34.24 15.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.834 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.51 -35.5 15.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.558 HD12 ' O ' ' A' ' 57' ' ' ALA . 3.3 mt -89.95 -16.71 8.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.125 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.5 mm? 58.32 22.79 9.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ASN . . . . . 0.571 ' HB3' HG23 ' A' ' 11' ' ' ILE . 6.8 m-20 -51.86 -68.28 0.18 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.844 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.759 ' HB2' HD22 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -53.5 150.59 6.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.908 179.947 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 31.0 mttp -122.35 -34.65 3.25 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.883 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -51.91 169.66 0.07 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.912 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 17.1 t60 -83.69 -61.1 1.92 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.909 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.8 t -156.12 152.35 27.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.86 -179.78 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 11.3 pt -152.82 170.05 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.188 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.3 t -79.96 121.34 25.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.826 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.894 HD13 HG21 ' A' ' 54' ' ' VAL . 16.9 mt -113.38 108.61 25.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.133 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.51 ' HD3' HD11 ' A' ' 74' ' ' ILE . 23.3 tttp -88.05 135.17 33.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 179.848 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 28.5 p -100.14 123.89 44.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.116 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.51 HD11 ' HD3' ' A' ' 72' ' ' LYS . 4.7 mp -124.52 117.5 50.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.106 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.1 t -98.82 158.21 15.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.844 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 57.7 mt -119.77 73.9 17.98 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.589 0.709 . . . . 0.0 111.115 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--O 1.231 0.141 0 C-N-CA 122.69 2.26 . . . . 0.0 112.315 179.875 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.3 ttt . . . . . 0 N--CA 1.457 -0.081 0 CA-C-O 120.775 0.321 . . . . 0.0 110.853 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 57.1 54.29 7.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.088 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.7 tt -106.02 151.59 8.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.143 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 31.0 m -52.02 140.82 19.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.808 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.588 ' HB1' ' CD1' ' A' ' 23' ' ' ILE . . . -59.58 -24.51 63.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.114 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -66.36 -24.25 66.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.902 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.608 ' O ' HD12 ' A' ' 11' ' ' ILE . 1.9 tp10 -86.87 -27.26 23.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.873 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 19.0 tp -52.1 -30.25 25.33 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.908 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.517 ' HB2' HD13 ' A' ' 21' ' ' ILE . 3.2 pt-20 -79.41 -33.38 42.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.892 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.3 mmmm -53.41 -28.42 29.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.919 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.608 HD12 ' O ' ' A' ' 7' ' ' GLU . 4.3 mp -82.3 -34.03 11.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.157 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.855 HD11 HD11 ' A' ' 35' ' ' LEU . 30.4 mt -81.41 -13.88 57.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.904 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 9.8 mtpt -75.59 -23.59 56.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.96 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.779 ' HG3' HG21 ' A' ' 61' ' ' ILE . 42.5 mmtt -51.74 -55.04 22.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.931 179.834 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 44.8 t -103.32 -29.88 10.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.843 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -116.14 70.57 4.07 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.696 0.76 . . . . 0.0 110.901 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -50.26 0.48 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.682 2.255 . . . . 0.0 112.354 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.5 m -68.2 -25.66 65.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.833 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.433 ' CB ' HD11 ' A' ' 37' ' ' ILE . 1.0 OUTLIER -52.09 151.23 3.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.861 -179.814 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 97.3 t -100.92 94.92 3.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.11 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.517 HD13 ' HB2' ' A' ' 9' ' ' GLU . 3.8 mp -83.47 112.3 20.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.127 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.5 tppp? -133.81 136.85 44.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.588 ' CD1' ' HB1' ' A' ' 5' ' ' ALA . 5.4 mp -94.61 142.9 12.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.086 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.404 ' O ' ' HB3' ' A' ' 34' ' ' ALA . 96.7 m -134.88 144.48 47.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.191 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -93.32 107.18 19.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.844 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.701 ' CD1' HG13 ' A' ' 27' ' ' VAL . 0.6 OUTLIER -103.37 -2.3 27.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.885 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.701 HG13 ' CD1' ' A' ' 26' ' ' LEU . 20.2 m -137.15 163.22 32.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.126 179.848 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -86.23 63.79 4.12 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.502 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 24.5 t0 64.18 64.5 0.73 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.771 0.32 . . . . 0.0 110.896 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -108.68 27.86 9.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.939 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 61.0 24.05 14.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -115.96 173.5 6.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.847 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 87.3 m-85 -152.69 142.77 22.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.873 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.509 ' HB2' ' CD2' ' A' ' 26' ' ' LEU . . . -105.91 121.91 45.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.104 179.848 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.855 HD11 HD11 ' A' ' 12' ' ' LEU . 0.3 OUTLIER -93.85 136.85 33.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.955 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.416 ' H ' HD23 ' A' ' 35' ' ' LEU . 9.7 mp0 -133.55 102.6 5.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.897 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.433 HD11 ' CB ' ' A' ' 19' ' ' SER . 1.4 tt -105.66 133.22 50.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.155 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.9 t -134.36 131.42 38.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.858 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -175.7 171.68 2.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -93.75 39.59 1.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.082 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -117.17 -27.64 6.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.969 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.438 ' HA ' HD12 ' A' ' 45' ' ' LEU . 24.6 m-85 -93.6 42.09 1.09 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 31.2 m-20 -90.89 -25.56 19.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.907 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -107.79 -20.67 8.3 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.456 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.534 HD13 HD12 ' A' ' 53' ' ' LEU . 5.9 mt -76.09 165.42 24.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.788 0.328 . . . . 0.0 110.91 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 15.5 t -112.47 177.69 4.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -55.27 -26.16 38.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.922 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 49.5 mm -82.37 -58.41 3.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.12 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 9.5 m-20 -57.44 -23.62 50.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.849 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 24.0 mt-30 -80.36 -31.09 37.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.919 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.676 ' CE1' HD12 ' A' ' 71' ' ' ILE . 13.6 t-80 -80.28 -29.38 38.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.855 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 7.7 ptpt -80.28 -33.25 37.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.919 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.534 HD12 HD13 ' A' ' 45' ' ' LEU . 6.6 mt -58.59 -54.6 45.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.918 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.626 HG21 HD13 ' A' ' 71' ' ' ILE . 18.9 m -52.15 -33.34 16.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.111 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.807 ' HE2' HD21 ' A' ' 58' ' ' LEU . 3.2 mmpt? -78.78 -30.25 45.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.918 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 15.2 m120 -74.33 -43.15 57.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.46 -20.48 55.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.132 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.807 HD21 ' HE2' ' A' ' 55' ' ' LYS . 4.4 pp -108.15 -14.57 14.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 42.0 t -90.0 -31.19 17.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.862 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -90.3 -34.74 15.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.856 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.779 HG21 ' HG3' ' A' ' 14' ' ' LYS . 48.0 mm -81.75 -19.92 10.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.093 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.3 mm? 57.83 54.68 5.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ASN . . . . . 0.552 ' HB2' HG23 ' A' ' 11' ' ' ILE . 15.7 m-20 -100.51 -25.75 14.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.852 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 16.7 tppt? -124.61 154.1 41.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.519 ' C ' HD12 ' A' ' 66' ' ' LEU . 30.0 mmtp -88.77 -74.27 0.47 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.893 179.827 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.519 HD12 ' C ' ' A' ' 65' ' ' LYS . 4.0 mp -155.46 130.31 9.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 2.4 t-160 -167.59 137.44 2.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.86 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 4.3 p -112.6 120.11 40.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.865 -179.769 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 21.7 pt -148.47 169.74 3.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.195 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 11.7 t -80.06 138.37 36.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.82 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.676 HD12 ' CE1' ' A' ' 51' ' ' HIS . 10.2 mt -122.12 118.19 54.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.183 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 63.8 tttp -100.64 144.62 29.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.904 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 20.5 p -111.0 126.21 54.55 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.129 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 4.8 mp -130.39 128.83 64.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.146 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 77.3 p -123.4 128.62 50.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.888 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.546 HG23 ' O ' ' A' ' 76' ' ' ILE . 4.1 tp -128.99 81.81 70.07 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.625 0.726 . . . . 0.0 111.096 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo . . . . . 0 C--O 1.232 0.188 0 C-N-CA 122.701 2.267 . . . . 0.0 112.337 179.862 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.3 ttp . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.785 0.326 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -54.12 168.79 0.2 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.107 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.5 tt -104.39 150.45 7.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.135 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 18.7 m -60.78 146.2 46.95 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.916 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.12 -24.26 67.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.095 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -63.81 -25.07 68.01 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.417 ' O ' HD12 ' A' ' 11' ' ' ILE . 1.6 tm-20 -71.26 -19.88 62.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.891 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.64 HD23 HG13 ' A' ' 23' ' ' ILE . 37.7 tp -54.77 -25.99 31.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.903 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.667 ' HA ' HG21 ' A' ' 21' ' ' ILE . 6.3 pt-20 -78.05 -34.58 50.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.838 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 42.2 mmtm -51.77 -32.68 31.96 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.889 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.418 ' H ' HD12 ' A' ' 11' ' ' ILE . 4.6 mp -71.69 -57.35 7.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.104 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 1.059 HD11 HD21 ' A' ' 35' ' ' LEU . 29.5 mt -60.94 -23.78 65.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.5 mtpt -63.29 -32.69 74.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.87 179.804 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 9.0 mmpt? -51.43 -31.38 22.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.895 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.3 t -110.3 -58.65 2.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.831 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.449 ' HZ ' HD13 ' A' ' 53' ' ' LEU . 9.7 m-85 -111.99 78.7 2.4 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.654 0.74 . . . . 0.0 110.868 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -48.55 0.7 Allowed 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.665 2.243 . . . . 0.0 112.323 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.8 t -60.59 -25.11 65.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.852 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.4 p -56.35 167.01 0.74 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.857 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 91.3 t -108.73 96.39 4.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.133 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.667 HG21 ' HA ' ' A' ' 9' ' ' GLU . 4.5 mp -82.26 131.83 32.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.159 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.6 ttmm -150.0 144.58 25.91 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.64 HG13 HD23 ' A' ' 8' ' ' LEU . 4.5 mp -101.4 143.39 14.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.17 179.853 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.626 ' HB ' ' HB3' ' A' ' 34' ' ' ALA . 2.0 m -128.18 134.3 49.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.113 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -94.74 115.03 27.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.881 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.941 HD11 ' HB2' ' A' ' 34' ' ' ALA . 5.0 mp -83.22 -50.13 8.74 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.899 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 6.7 m -124.47 -39.35 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.146 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 102.49 -71.28 0.32 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.498 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -52.32 -67.68 0.23 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.762 0.315 . . . . 0.0 110.838 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -53.77 154.96 3.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.907 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -77.73 60.58 2.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.87 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -109.14 120.2 41.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.854 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -123.26 113.58 19.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.896 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.941 ' HB2' HD11 ' A' ' 26' ' ' LEU . . . -93.31 99.99 12.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.145 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 1.059 HD21 HD11 ' A' ' 12' ' ' LEU . 43.9 tp -82.66 123.43 29.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -120.77 113.03 19.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 17.6 tt -117.24 145.51 22.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.119 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -128.28 123.13 33.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.855 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -146.01 177.12 9.19 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -121.63 27.69 8.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.114 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -121.18 -31.84 4.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.418 ' HA ' HD12 ' A' ' 45' ' ' LEU . 0.5 OUTLIER -64.34 -15.58 60.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.93 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 25.5 m-80 -50.93 -30.96 16.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.929 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -95.31 41.43 2.49 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.487 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.542 HD22 ' HB3' ' A' ' 49' ' ' ASN . 46.7 mt -149.84 -176.36 5.4 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.822 0.344 . . . . 0.0 110.9 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 16.0 t -121.19 174.78 6.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.843 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -56.49 -26.66 54.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.934 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.548 HG22 ' HD2' ' A' ' 52' ' ' LYS . 41.1 mm -76.77 -54.63 12.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.168 179.853 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.542 ' HB3' HD22 ' A' ' 45' ' ' LEU . 89.3 m-20 -63.66 -32.42 73.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.842 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -69.26 -42.43 75.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.957 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.58 ' NE2' HD12 ' A' ' 71' ' ' ILE . 1.8 t60 -78.32 -25.42 46.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.548 ' HD2' HG22 ' A' ' 48' ' ' ILE . 80.3 mttt -81.11 -45.63 16.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.449 HD13 ' HZ ' ' A' ' 16' ' ' PHE . 6.9 mt -49.35 -53.62 21.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.988 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.838 HG21 HD13 ' A' ' 71' ' ' ILE . 19.3 m -53.75 -31.75 20.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.14 179.779 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 6.9 mmpt? -80.02 -29.99 39.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.945 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 34.3 m120 -79.14 -35.09 42.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.921 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -57.0 -22.93 42.42 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.09 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.5 ' O ' HD12 ' A' ' 58' ' ' LEU . 3.9 pp -119.88 19.42 12.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.923 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 32.2 t -90.25 -21.52 22.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.897 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -99.2 -39.47 8.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.859 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 1.9 mp -87.42 -25.49 6.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.144 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.2 mm? 57.64 36.14 26.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.892 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 14.0 m-20 -51.48 -57.18 9.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.925 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.67 150.8 21.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.889 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 12.7 mtmt -60.41 -173.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -88.9 54.51 3.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.933 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 9.6 m80 -97.69 -176.72 3.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.847 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -144.15 120.25 10.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.82 -179.784 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -134.63 170.0 20.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.096 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 28.6 t -80.44 134.95 36.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.838 HD13 HG21 ' A' ' 54' ' ' VAL . 9.1 mt -122.7 102.89 12.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.117 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 51.8 tttt -90.13 134.75 34.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.85 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 7.5 p -95.65 130.29 42.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.144 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 4.0 mp -133.93 150.37 31.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.139 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -109.63 159.31 17.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.806 -179.844 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 8.9 pt -115.82 156.08 46.89 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.62 0.724 . . . . 0.0 111.158 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo . . . . . 0 C--O 1.231 0.175 0 C-N-CA 122.707 2.271 . . . . 0.0 112.354 179.866 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.3 ttm . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.833 0.349 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -77.11 153.47 34.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.077 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 5.8 tt -92.05 151.1 3.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.12 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 34.0 m -53.26 143.66 17.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.827 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.15 -24.24 67.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.074 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -67.24 -23.89 65.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.914 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.543 ' O ' HD12 ' A' ' 11' ' ' ILE . 3.1 tp10 -88.64 -25.02 22.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.856 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.528 HD23 HG12 ' A' ' 23' ' ' ILE . 20.1 tp -52.57 -29.44 25.61 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.889 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.605 ' HA ' HG21 ' A' ' 21' ' ' ILE . 4.4 pt-20 -74.68 -36.22 62.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 22.4 mmmt -52.88 -28.8 24.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.9 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.543 HD12 ' O ' ' A' ' 7' ' ' GLU . 5.1 mp -76.96 -43.24 32.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.118 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.722 HD11 HD21 ' A' ' 35' ' ' LEU . 27.1 mt -75.1 -17.8 60.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.929 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.7 mtpt -73.7 -22.82 59.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.924 179.807 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.718 ' HE2' HG21 ' A' ' 61' ' ' ILE . 5.4 mmmt -51.9 -52.13 52.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.911 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 23.0 t -105.64 -26.37 11.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.87 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -114.82 71.95 2.69 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.663 0.744 . . . . 0.0 110.875 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -50.25 0.48 Allowed 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.665 2.243 . . . . 0.0 112.35 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.8 m -67.56 -35.39 78.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.825 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.47 ' OG ' HD11 ' A' ' 37' ' ' ILE . 12.8 p -51.86 149.13 5.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.804 -179.808 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 87.2 t -100.49 113.27 35.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.114 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.605 HG21 ' HA ' ' A' ' 9' ' ' GLU . 4.3 mp -92.51 130.85 41.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.128 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -141.08 143.43 34.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.829 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.528 HG12 HD23 ' A' ' 8' ' ' LEU . 4.7 mp -120.7 142.88 34.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.087 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 7.3 m -141.41 130.97 23.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.126 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 52.6 m-20 -101.8 111.29 23.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.856 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.2 mp -119.3 27.46 8.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.884 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.662 HG12 ' H ' ' A' ' 29' ' ' ASP . 60.5 t -145.07 120.93 3.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.147 179.829 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -100.2 25.24 29.04 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.472 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.662 ' H ' HG12 ' A' ' 27' ' ' VAL . 10.1 t70 -114.31 -67.19 1.01 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.745 0.307 . . . . 0.0 110.863 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -103.56 161.04 14.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.927 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -76.35 74.78 3.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.827 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 4.9 m-70 -102.68 165.18 11.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 87.8 m-85 -148.86 142.69 25.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.958 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -109.48 102.99 11.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.077 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.722 HD21 HD11 ' A' ' 12' ' ' LEU . 16.3 tp -80.09 143.86 33.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.955 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -137.11 105.14 5.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.868 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.47 HD11 ' OG ' ' A' ' 19' ' ' SER . 0.6 OUTLIER -103.13 135.47 40.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.13 179.963 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.1 m -135.88 122.81 21.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -176.28 173.0 2.21 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.865 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -101.51 42.28 1.14 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.136 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -115.83 -24.49 8.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.855 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.5 ' HA ' HD12 ' A' ' 45' ' ' LEU . 92.8 m-85 -95.74 26.03 4.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.878 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 29.0 m-20 -84.22 118.42 24.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.879 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 96.39 18.17 31.7 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.497 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.5 HD12 ' HA ' ' A' ' 42' ' ' PHE . 68.2 mt -109.68 170.7 7.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.849 0.357 . . . . 0.0 110.875 -179.885 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 23.2 t -102.7 160.87 14.2 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.822 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -51.98 -30.49 25.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.901 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 50.7 mm -77.41 -44.44 30.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.136 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 91.2 m-20 -62.26 -42.44 99.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.924 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 15.2 mt-30 -64.03 -41.41 97.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.917 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.535 ' NE2' HD12 ' A' ' 71' ' ' ILE . 1.7 t60 -75.22 -25.19 57.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.825 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 21.5 ttmt -80.14 -44.45 19.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.925 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 14.3 mt -51.97 -54.67 26.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.91 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.657 HG21 HG21 ' A' ' 71' ' ' ILE . 19.7 m -52.51 -33.55 18.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.117 179.839 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.759 ' HE2' HD21 ' A' ' 58' ' ' LEU . 4.0 mmpt? -79.93 -28.43 39.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 39.7 m-20 -76.91 -42.12 40.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.929 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.3 -21.06 59.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.092 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.759 HD21 ' HE2' ' A' ' 55' ' ' LYS . 4.6 pp -109.67 -8.96 14.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 30.7 t -90.02 0.11 57.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.878 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -108.64 -44.78 3.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.926 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.718 HG21 ' HE2' ' A' ' 14' ' ' LYS . 5.7 mt -93.77 -22.97 5.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.106 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.435 ' HA ' HD11 ' A' ' 66' ' ' LEU . 3.9 mp 46.64 47.13 14.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.972 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -51.81 -71.39 0.07 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.933 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -173.7 -174.4 0.96 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.911 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.512 ' HD3' HD13 ' A' ' 8' ' ' LEU . 0.0 OUTLIER 52.08 39.53 26.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.909 179.843 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.646 HD22 HD13 ' A' ' 58' ' ' LEU . 8.1 mt -100.62 87.35 3.33 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.891 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 35.1 m-70 -139.45 -74.88 0.36 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.853 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 4.0 p -179.47 119.91 0.07 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 -179.743 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 6.1 pt -151.54 166.43 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.099 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 10.5 t -83.34 137.47 33.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.873 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.672 HG23 HD23 ' A' ' 35' ' ' LEU . 5.1 mt -120.44 120.37 62.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.137 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.53 ' CD ' HD11 ' A' ' 74' ' ' ILE . 34.7 tttp -101.1 140.82 34.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.917 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 19.4 p -105.72 131.68 52.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.179 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.53 HD11 ' CD ' ' A' ' 72' ' ' LYS . 4.6 mp -140.58 121.5 14.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.124 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 83.3 p -115.55 130.6 56.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.859 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 7.9 pt -145.34 156.03 53.86 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.636 0.732 . . . . 0.0 111.123 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--N 1.342 0.187 0 C-N-CA 122.691 2.261 . . . . 0.0 112.329 179.895 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.0 mmt . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.801 0.334 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -123.22 135.45 54.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.058 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.2 tt -102.75 150.94 6.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.148 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 37.4 m -54.33 138.81 38.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.888 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 1.076 ' HB1' HD13 ' A' ' 23' ' ' ILE . . . -57.57 -30.68 65.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.117 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 22.7 pt-20 -59.85 -25.23 64.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.89 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -72.26 -28.54 63.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.907 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.732 HD23 HG13 ' A' ' 23' ' ' ILE . 21.5 tp -74.14 -47.5 35.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.905 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.708 ' HA ' HG21 ' A' ' 21' ' ' ILE . 10.5 pt-20 -61.69 -37.55 84.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.873 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 31.2 mmtm -58.64 -27.02 64.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.883 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.682 HG23 ' CG ' ' A' ' 63' ' ' ASN . 37.8 mt -68.98 -46.95 78.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.123 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.91 HD11 HD21 ' A' ' 35' ' ' LEU . 14.4 mt -68.51 -30.73 69.62 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.931 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 21.2 mtpt -51.06 -34.99 32.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.86 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.686 ' HG2' HG21 ' A' ' 61' ' ' ILE . 5.3 mptt -51.32 -32.12 24.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.91 179.849 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.3 t -110.09 -58.49 2.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.86 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.561 ' HZ ' HD13 ' A' ' 53' ' ' LEU . 13.4 m-85 -111.17 80.62 2.48 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.627 0.727 . . . . 0.0 110.893 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -25.4 28.46 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.701 2.268 . . . . 0.0 112.29 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.2 t -87.22 -20.99 26.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.882 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.464 ' CB ' HD11 ' A' ' 37' ' ' ILE . 2.3 m -57.94 163.27 2.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.877 -179.837 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 91.1 t -108.55 94.35 3.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.119 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.708 HG21 ' HA ' ' A' ' 9' ' ' GLU . 3.6 mp -80.7 123.02 36.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.158 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 6.7 ttmt -133.24 124.23 27.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.9 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 1.076 HD13 ' HB1' ' A' ' 5' ' ' ALA . 5.3 mp -86.59 128.08 39.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.086 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 87.8 m -139.14 138.79 37.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.115 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 60.7 m-20 -84.46 141.09 31.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.855 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.407 HD23 ' HA ' ' A' ' 26' ' ' LEU . 12.7 mt -115.63 -26.7 7.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.902 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.43 HG11 ' HB2' ' A' ' 30' ' ' GLN . 92.7 t -99.9 -68.41 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.159 179.809 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 129.1 -51.98 0.84 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.515 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -106.54 -45.57 4.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.764 0.316 . . . . 0.0 110.865 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.43 ' HB2' HG11 ' A' ' 27' ' ' VAL . 0.4 OUTLIER -61.05 157.32 15.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.969 -179.935 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -78.51 71.51 4.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.844 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 3.0 t-160 -108.15 166.54 10.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -159.92 113.6 2.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.917 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -94.67 100.18 12.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.082 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.91 HD21 HD11 ' A' ' 12' ' ' LEU . 34.6 tp -85.5 113.75 22.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.907 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -110.19 120.59 42.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.88 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.594 HD12 HD13 ' A' ' 12' ' ' LEU . 1.1 tt -104.25 139.82 24.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.139 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -132.62 112.94 12.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.884 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -177.59 -173.53 0.42 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.894 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -116.74 29.15 8.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.094 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -92.1 -2.84 56.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.912 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.497 ' HA ' HD12 ' A' ' 45' ' ' LEU . 5.2 p90 -124.07 21.78 8.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.847 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -54.35 -46.55 72.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.925 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -107.62 58.39 0.41 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.478 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.497 HD12 ' HA ' ' A' ' 42' ' ' PHE . 76.1 mt -137.79 167.19 22.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.819 0.343 . . . . 0.0 110.949 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 14.8 t -106.58 167.44 9.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.864 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -54.86 -26.13 33.36 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.903 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 40.1 mm -85.53 -41.0 15.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.141 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 8.0 m-20 -65.86 -31.42 72.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.857 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -76.54 -35.82 58.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.896 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' HIS . . . . . 0.545 ' NE2' HD12 ' A' ' 71' ' ' ILE . 2.5 t60 -80.44 -30.38 37.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 9.1 ptmm? -80.47 -30.34 37.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.928 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.561 HD13 ' HZ ' ' A' ' 16' ' ' PHE . 5.9 mt -62.8 -53.93 46.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.942 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.533 HG21 HD13 ' A' ' 71' ' ' ILE . 16.0 m -51.52 -36.12 17.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.121 179.829 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.689 ' HE2' HD21 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -74.4 -34.34 63.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.94 179.866 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 14.4 m120 -66.15 -45.35 81.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.27 -19.4 45.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.035 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.689 HD21 ' HE2' ' A' ' 55' ' ' LYS . 4.1 pp -113.91 5.33 16.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.947 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 85.5 p -90.31 -37.85 13.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.842 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -94.24 -35.12 12.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.835 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.686 HG21 ' HG2' ' A' ' 14' ' ' LYS . 24.5 mm -76.16 -23.54 15.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.108 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.3 mm? 54.48 52.73 11.87 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.907 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ASN . . . . . 0.682 ' CG ' HG23 ' A' ' 11' ' ' ILE . 4.1 p30 -108.08 25.06 12.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.944 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.643 ' HD2' HD13 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -152.24 151.08 30.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.884 179.925 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 39.8 mmtm -76.67 -174.39 2.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.905 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.89 -25.09 62.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.984 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -51.97 161.94 0.52 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.812 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 78.4 p -129.86 155.33 46.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.854 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -143.65 169.93 10.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.135 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.3 m -80.01 146.36 32.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.867 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.545 HD12 ' NE2' ' A' ' 51' ' ' HIS . 3.8 mt -129.89 124.54 58.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.121 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.68 ' CD ' HD11 ' A' ' 74' ' ' ILE . 61.2 tttt -106.16 150.97 25.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 179.819 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 17.8 p -117.46 116.28 26.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.188 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.68 HD11 ' CD ' ' A' ' 72' ' ' LYS . 2.6 mp -133.69 144.94 34.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.154 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -118.58 154.62 32.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 2.7 pp -62.35 153.09 77.5 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.602 0.715 . . . . 0.0 111.137 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo . . . . . 0 C--N 1.342 0.204 0 C-N-CA 122.639 2.226 . . . . 0.0 112.355 179.868 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 73.9 m . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.855 0.36 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -68.72 -23.86 64.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.1 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -70.03 -19.93 63.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.876 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.619 ' O ' HD12 ' A' ' 11' ' ' ILE . 3.7 tp10 -88.22 -23.3 23.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.843 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.693 HD21 ' HG ' ' A' ' 35' ' ' LEU . 16.9 tp -51.18 -33.44 27.23 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.917 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -71.11 -39.57 71.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.904 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.418 ' HA ' ' HG3' ' A' ' 13' ' ' LYS . 16.5 tptt -51.13 -29.78 14.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.895 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.619 HD12 ' O ' ' A' ' 7' ' ' GLU . 4.1 mp -78.94 -44.95 24.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.148 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.51 HD11 HD11 ' A' ' 35' ' ' LEU . 13.0 mt -63.31 -16.2 59.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.418 ' HG3' ' HA ' ' A' ' 10' ' ' LYS . 0.5 OUTLIER -72.68 -25.2 61.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.864 179.838 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.6 ' HE2' HG21 ' A' ' 61' ' ' ILE . 7.1 mmtm -48.42 -46.42 37.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.922 179.851 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -110.74 -24.11 10.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.877 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 -132.67 74.94 74.07 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.697 0.76 . . . . 0.0 110.928 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.85 -50.45 0.45 Allowed 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.639 2.226 . . . . 0.0 112.344 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.9 m -67.01 -25.89 66.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.876 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -50.8 152.05 2.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.823 -179.802 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 60.0 t -98.93 104.52 16.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.114 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.696 HG23 HD21 ' A' ' 35' ' ' LEU . 4.3 mp -95.96 132.54 39.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.107 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.3 tppt? -148.56 136.34 20.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.856 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 5.4 mp -107.45 143.26 18.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.13 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 87.5 m -139.4 140.48 37.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.118 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -86.95 129.17 34.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 13.6 mt -100.43 -39.65 7.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.935 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 6.7 m -116.65 -26.81 2.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.141 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 56.84 34.52 65.32 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.494 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 78.9 m-20 -132.33 -58.31 0.94 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.776 0.322 . . . . 0.0 110.826 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -97.95 -175.74 3.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.895 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -77.6 64.62 2.95 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 11.1 t-160 -116.68 101.24 8.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.811 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -107.92 127.75 54.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.913 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -91.62 101.71 14.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.086 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.696 HD21 HG23 ' A' ' 21' ' ' ILE . 0.3 OUTLIER -79.89 139.06 37.27 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.916 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -133.33 108.3 8.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.83 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -106.27 135.03 46.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.136 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -134.79 124.64 25.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -171.48 -175.39 1.6 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.837 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -110.33 24.93 12.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.113 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -109.86 -15.55 14.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.879 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.624 ' HA ' HD12 ' A' ' 45' ' ' LEU . 4.1 m-85 -95.16 24.38 5.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.875 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 10.4 m-80 -92.55 120.76 33.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.846 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 102.95 -24.67 29.88 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.477 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.624 HD12 ' HA ' ' A' ' 42' ' ' PHE . 9.6 mt -71.07 165.28 23.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.792 0.329 . . . . 0.0 110.976 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 37.1 t -100.16 165.94 11.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.842 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -56.04 -25.41 44.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.901 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 49.3 mm -81.59 -41.04 18.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.17 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.508 ' HB3' HD22 ' A' ' 45' ' ' LEU . 24.3 m-20 -69.07 -40.53 78.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.901 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -66.66 -39.45 88.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.913 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.758 ' CE1' HD12 ' A' ' 71' ' ' ILE . 8.3 t-80 -75.68 -27.54 58.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 19.9 ttmt -80.74 -42.02 22.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.882 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 12.4 mt -51.09 -55.05 19.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.886 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.706 HG21 HD13 ' A' ' 71' ' ' ILE . 24.4 m -52.14 -33.25 16.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.123 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.588 ' HE2' HD21 ' A' ' 58' ' ' LEU . 5.7 mmpt? -80.21 -28.95 38.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.903 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 25.6 m-20 -78.03 -34.99 50.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.886 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.3 -16.77 56.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.105 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.588 HD21 ' HE2' ' A' ' 55' ' ' LYS . 3.7 pp -118.1 -5.35 10.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 43.6 t -90.11 -3.43 57.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -105.8 -44.26 4.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.872 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.6 HG21 ' HE2' ' A' ' 14' ' ' LYS . 5.0 mt -91.86 -19.66 6.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.134 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.4 HD13 ' HA ' ' A' ' 62' ' ' LEU . 4.2 mm? 57.85 40.3 26.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.924 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . 0.456 ' HB2' HG23 ' A' ' 11' ' ' ILE . 18.2 m-20 -59.63 -51.4 69.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.934 179.853 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.98 155.52 29.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.892 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 17.4 mmmt -59.29 172.73 0.58 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.895 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 10.1 mp -94.09 115.0 27.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.906 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 32.7 m170 -138.32 -178.35 5.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.841 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 5.3 m -120.75 124.82 46.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.859 -179.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 19.5 pt -151.57 169.51 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.168 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 41.9 t -81.76 130.51 35.09 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.832 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.758 HD12 ' CE1' ' A' ' 51' ' ' HIS . 10.6 mt -121.92 101.7 10.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.121 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.443 ' HD3' HD11 ' A' ' 74' ' ' ILE . 58.8 tttt -85.18 137.45 33.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.873 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 27.9 p -104.61 130.93 52.54 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.151 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.443 HD11 ' HD3' ' A' ' 72' ' ' LYS . 5.3 mp -133.35 133.24 57.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.114 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 76.1 p . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.877 -179.954 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 38.3 m . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.885 0.374 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.67 -25.65 63.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.06 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -66.16 -24.04 66.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.922 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.496 ' O ' HD12 ' A' ' 11' ' ' ILE . 10.6 tm-20 -79.45 -23.95 42.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.89 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.509 HD23 ' CG1' ' A' ' 23' ' ' ILE . 39.7 tp -51.75 -36.2 46.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.89 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.42 ' HA ' HG21 ' A' ' 21' ' ' ILE . 3.1 pt-20 -72.51 -32.76 66.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.926 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 17.7 tptp -52.16 -29.37 21.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.839 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.496 HD12 ' O ' ' A' ' 7' ' ' GLU . 5.4 mp -84.2 -31.07 7.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.09 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 1.094 HD11 HD21 ' A' ' 35' ' ' LEU . 32.4 mt -83.73 -9.96 58.47 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 11.8 mtpt -79.5 -25.06 41.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.868 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.592 ' HE3' HG21 ' A' ' 61' ' ' ILE . 15.5 mmtt -52.97 -47.3 68.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 179.861 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -107.81 -30.92 8.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -118.34 67.54 6.97 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.628 0.728 . . . . 0.0 110.914 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 -50.05 0.5 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.688 2.259 . . . . 0.0 112.325 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.7 m -68.35 -27.03 65.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.856 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.43 ' OG ' HD11 ' A' ' 37' ' ' ILE . 15.3 p -60.27 146.48 43.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.853 -179.834 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 67.9 t -93.06 108.13 19.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.137 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.575 HG23 HD11 ' A' ' 35' ' ' LEU . 4.6 mp -94.4 127.28 46.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.134 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 5.1 ttmm -142.59 139.7 31.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.853 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.509 ' CG1' HD23 ' A' ' 8' ' ' LEU . 4.9 mp -106.59 146.28 13.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.149 179.85 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.682 ' HB ' ' HB3' ' A' ' 34' ' ' ALA . 1.3 m -119.9 135.25 54.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.146 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -97.73 89.86 4.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.905 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 10.6 mt -111.07 -24.17 10.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.97 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.757 HG21 ' HB3' ' A' ' 32' ' ' HIS . 98.9 t -76.63 -74.22 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.129 179.827 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 123.4 70.28 0.23 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.481 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 15.9 t0 66.37 73.73 0.36 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.782 0.325 . . . . 0.0 110.903 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.56 ' HB3' HG11 ' A' ' 27' ' ' VAL . 0.0 OUTLIER -159.38 163.69 35.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.869 -179.907 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -57.79 -24.33 56.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.87 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.757 ' HB3' HG21 ' A' ' 27' ' ' VAL . 10.5 t60 -77.72 136.96 38.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.862 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -151.44 151.55 31.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.682 ' HB3' ' HB ' ' A' ' 24' ' ' THR . . . -98.82 106.49 18.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.055 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 1.094 HD21 HD11 ' A' ' 12' ' ' LEU . 19.8 tp -101.26 114.46 28.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.952 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -112.04 115.72 29.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.913 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.43 HD11 ' OG ' ' A' ' 19' ' ' SER . 17.2 tt -112.84 144.57 20.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.108 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 6.6 m -126.11 101.78 6.93 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -130.15 155.86 45.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.876 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -95.05 23.99 5.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.104 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 12.8 mt-30 -108.25 -18.16 13.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.923 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.566 ' HD1' HD12 ' A' ' 45' ' ' LEU . 8.2 m-85 -95.67 26.86 3.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.904 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 51.1 m-20 -86.87 56.25 3.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.874 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 158.35 -22.08 0.35 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.447 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.566 HD12 ' HD1' ' A' ' 42' ' ' PHE . 45.8 mt -62.98 176.06 0.77 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.869 0.366 . . . . 0.0 110.863 -179.853 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -104.8 158.57 16.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.912 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -52.22 -30.24 26.49 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.878 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 51.1 mm -76.57 -47.66 28.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.127 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 32.7 m-20 -61.77 -39.61 92.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.924 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -65.55 -43.54 89.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.876 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.547 ' NE2' HD12 ' A' ' 71' ' ' ILE . 1.5 t60 -72.37 -26.29 61.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.854 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 14.8 ttmt -80.34 -44.67 19.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.909 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 25.6 mt -51.57 -54.58 25.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.947 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.788 HG21 HD13 ' A' ' 71' ' ' ILE . 20.3 m -52.49 -33.46 17.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.099 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.811 ' HE2' HD21 ' A' ' 58' ' ' LEU . 5.7 mmpt? -80.03 -28.29 39.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.929 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 33.0 m-20 -77.71 -39.51 44.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.863 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.03 -19.87 54.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.124 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.811 HD21 ' HE2' ' A' ' 55' ' ' LYS . 4.5 pp -108.96 -23.48 11.69 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.918 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.476 ' N ' HD12 ' A' ' 58' ' ' LEU . 28.0 t -82.45 -26.49 32.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.898 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -89.96 -32.6 16.74 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.85 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.592 HG21 ' HE3' ' A' ' 14' ' ' LYS . 26.2 mm -89.36 -15.61 8.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.135 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.3 mm? 57.84 32.34 21.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . 0.406 ' HB2' HG23 ' A' ' 11' ' ' ILE . 13.4 m-20 -74.91 -25.56 59.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.904 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.68 153.18 1.75 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.882 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.4 mmmp? -126.77 78.65 1.81 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.895 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -69.78 147.14 50.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.918 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 18.3 t-160 -64.44 -62.41 1.61 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 21.4 p -178.99 120.18 0.08 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.854 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 20.9 pt -135.77 166.83 26.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.173 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 41.6 t -80.11 122.23 26.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.832 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.788 HD13 HG21 ' A' ' 54' ' ' VAL . 17.6 mt -113.39 110.28 31.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.095 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.475 ' HD3' HD11 ' A' ' 74' ' ' ILE . 56.0 tttt -91.22 141.04 29.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.885 179.82 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 19.7 p -105.18 125.92 51.51 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.104 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.475 HD11 ' HD3' ' A' ' 72' ' ' LYS . 5.4 mp -130.49 130.1 64.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.109 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 9.1 p . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.91 -179.904 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 35.0 m . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.882 0.372 . . . . 0.0 110.846 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.754 ' HB1' HD13 ' A' ' 23' ' ' ILE . . . -54.5 -28.19 43.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.055 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 18.6 pt-20 -61.33 -20.06 62.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.896 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 14.2 tp10 -80.11 -31.37 39.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.865 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.542 HD23 ' CG1' ' A' ' 23' ' ' ILE . 49.6 tp -73.63 -37.17 65.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.911 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.597 ' HA ' HG21 ' A' ' 21' ' ' ILE . 11.2 pt-20 -69.31 -32.73 72.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.873 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 36.8 mmtt -50.08 -31.35 12.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.6 mp -70.89 -68.87 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.086 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.951 HD11 HD21 ' A' ' 35' ' ' LEU . 59.7 mt -52.41 -32.3 38.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.935 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.9 mtpt -53.57 -27.45 26.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.907 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 16.6 mmtm -52.45 -38.78 60.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 29.1 t -109.91 -48.12 3.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.827 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -112.9 75.97 2.11 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.588 0.709 . . . . 0.0 110.854 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 -47.8 0.86 Allowed 'Trans proline' 0 C--O 1.231 0.138 0 C-N-CA 122.685 2.257 . . . . 0.0 112.334 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.3 p -64.59 -27.36 68.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.861 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -51.85 158.38 1.02 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.896 -179.822 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 95.8 t -98.99 94.96 3.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.167 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.597 HG21 ' HA ' ' A' ' 9' ' ' GLU . 3.7 mp -90.26 109.84 21.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.139 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.1 ttmm -133.33 151.26 51.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.754 HD13 ' HB1' ' A' ' 5' ' ' ALA . 5.3 mp -114.1 134.83 55.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.095 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 87.7 m -133.0 142.07 48.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.14 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 16.5 p-10 -79.56 131.75 36.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.454 HD12 ' CE1' ' A' ' 32' ' ' HIS . 10.4 mt -96.22 -54.86 3.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.897 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 6.6 m -115.81 -39.25 2.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.114 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 72.73 39.61 55.04 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.471 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -117.75 -38.58 3.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.697 0.284 . . . . 0.0 110.862 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 2.0 pp0? -123.83 34.02 5.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 62.55 47.71 4.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.454 ' CE1' HD12 ' A' ' 26' ' ' LEU . 2.9 t-80 -69.68 135.85 50.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 26.8 m-85 -128.65 124.1 34.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.915 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -99.11 100.11 11.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.077 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.951 HD21 HD11 ' A' ' 12' ' ' LEU . 24.6 tp -80.63 105.55 11.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -102.21 128.28 48.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.4 HG23 ' O ' ' A' ' 37' ' ' ILE . 1.3 tt -122.57 124.11 69.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.156 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.9 t -120.47 111.74 18.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.853 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -152.61 174.45 13.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.863 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -99.76 24.98 7.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.132 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -111.01 -15.92 13.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.861 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.548 ' HA ' HD12 ' A' ' 45' ' ' LEU . 21.6 m-85 -95.55 26.01 4.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 27.8 m-80 -96.69 123.94 40.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.887 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 92.58 15.89 51.23 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.486 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.694 HD22 ' HB3' ' A' ' 49' ' ' ASN . 14.8 mt -111.4 175.95 5.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.843 0.354 . . . . 0.0 110.919 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 23.2 t -106.77 175.44 5.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.853 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -63.02 -29.31 70.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.899 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 40.7 mm -82.29 -40.97 17.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.146 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.694 ' HB3' HD22 ' A' ' 45' ' ' LEU . 26.3 m-20 -65.61 -32.67 74.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.879 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 17.1 mt-30 -77.29 -34.32 55.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.913 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.578 ' NE2' HD12 ' A' ' 71' ' ' ILE . 3.0 t60 -80.41 -29.81 37.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -80.81 -30.31 35.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.863 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 11.3 mt -62.68 -53.93 47.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.927 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.657 HG21 HD13 ' A' ' 71' ' ' ILE . 15.7 m -51.13 -36.84 16.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.159 179.817 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.428 ' HE2' HD21 ' A' ' 58' ' ' LEU . 7.0 mmpt? -73.56 -34.44 65.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.937 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 -67.52 -45.11 76.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.91 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.499 ' O ' HD13 ' A' ' 61' ' ' ILE . . . -57.91 -21.04 41.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.107 179.821 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.428 HD21 ' HE2' ' A' ' 55' ' ' LYS . 4.0 pp -117.28 21.79 12.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.906 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 11.7 m -90.27 -56.99 3.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.878 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.534 ' HG2' HD12 ' A' ' 61' ' ' ILE . 5.6 pt-20 -68.02 -43.39 78.92 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.891 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.534 HD12 ' HG2' ' A' ' 60' ' ' GLU . 4.6 mp -71.75 -49.0 48.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.094 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER 63.91 42.38 6.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.901 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -51.25 -51.37 54.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.881 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 13.6 tppt? -109.22 152.42 25.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.9 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 4.0 mtpm? -128.25 143.9 51.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.923 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.5 mm? 51.66 67.38 0.97 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.886 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 34.4 p-80 -140.31 115.4 9.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.872 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 9.1 t -120.53 119.86 34.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.846 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 30.7 pt -151.42 169.98 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.143 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 2.7 t -80.36 141.97 34.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.86 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.657 HD13 HG21 ' A' ' 54' ' ' VAL . 6.5 mt -119.99 108.26 22.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.12 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.452 ' HD3' HD11 ' A' ' 74' ' ' ILE . 9.8 tttp -86.11 134.95 33.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 179.847 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 19.9 p -96.11 123.9 39.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.164 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.452 HD11 ' HD3' ' A' ' 72' ' ' LYS . 4.4 mp -131.6 127.4 59.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.145 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 73.4 p . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.846 -179.92 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 66.7 m . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.881 0.372 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 1.031 ' HB1' HD13 ' A' ' 23' ' ' ILE . . . -59.57 -29.87 68.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.041 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -63.23 -23.95 67.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.907 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 15.2 tp10 -85.94 -24.92 26.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.863 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.445 HD23 ' CG1' ' A' ' 23' ' ' ILE . 14.0 tp -64.92 -45.29 86.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.588 ' HA ' HG21 ' A' ' 21' ' ' ILE . 6.4 pt-20 -61.21 -33.21 73.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 18.6 mmtp -49.86 -32.18 13.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.431 HD12 ' N ' ' A' ' 11' ' ' ILE . 4.0 mp -74.17 -49.32 33.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.108 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.914 HD11 HD21 ' A' ' 35' ' ' LEU . 35.9 mt -70.25 -10.94 60.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.892 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.4 mtpt -87.71 -42.86 12.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 35.9 mmtt -53.99 -28.67 39.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.883 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 38.3 t -110.1 -48.45 3.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.824 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -113.28 75.55 2.31 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.629 0.728 . . . . 0.0 110.829 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 -24.63 29.51 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.731 2.287 . . . . 0.0 112.33 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 15.8 t -93.83 18.84 9.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.89 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 9.0 p -111.61 138.44 48.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.836 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 27.0 t -84.01 109.0 16.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.149 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.588 HG21 ' HA ' ' A' ' 9' ' ' GLU . 4.4 mt -95.1 131.11 42.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.143 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.0 tppt? -146.37 138.22 24.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.889 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 1.031 HD13 ' HB1' ' A' ' 5' ' ' ALA . 5.3 mp -105.61 138.44 30.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.146 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 22.5 m -140.72 135.1 31.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.121 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -89.74 132.27 35.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.865 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 15.2 mt -104.92 -46.24 4.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 26.1 m -128.46 154.29 39.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.168 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -112.5 33.8 5.48 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.484 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -132.29 -45.45 0.92 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.764 0.316 . . . . 0.0 110.889 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -100.61 153.56 19.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.884 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -78.18 60.72 2.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.849 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -104.01 117.84 35.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.823 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -110.16 125.02 52.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.93 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -91.39 102.63 15.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.039 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.914 HD21 HD11 ' A' ' 12' ' ' LEU . 51.8 tp -85.5 130.1 34.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.925 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.8 mp0 -120.91 112.02 18.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 11.3 tt -118.9 127.02 75.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.146 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 7.4 t -119.38 99.98 7.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.855 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -127.7 -179.06 4.74 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.892 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -127.06 32.56 5.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.048 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -115.45 -21.85 9.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.909 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.518 ' HA ' HD12 ' A' ' 45' ' ' LEU . 1.4 p90 -61.07 -18.63 58.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 8.6 m-80 -50.95 115.4 1.5 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.868 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 104.9 16.94 15.46 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.445 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.548 HD22 ' HB3' ' A' ' 49' ' ' ASN . 81.7 mt -125.82 179.04 5.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.825 0.345 . . . . 0.0 110.893 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 23.6 t -117.6 174.09 6.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.886 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -57.4 -23.79 51.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.935 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 46.0 mm -80.86 -51.11 16.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.137 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.548 ' HB3' HD22 ' A' ' 45' ' ' LEU . 88.0 m-20 -62.65 -35.46 79.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.869 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 24.9 mt-30 -67.88 -43.68 78.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.948 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.627 ' NE2' HD12 ' A' ' 71' ' ' ILE . 1.5 t60 -75.72 -25.33 56.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.823 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 17.8 mttm -80.77 -44.31 18.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.918 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 9.5 mt -48.74 -55.04 12.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.905 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.732 HG21 HD13 ' A' ' 71' ' ' ILE . 22.4 m -52.59 -32.3 16.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.13 179.814 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.4 mmpt? -79.92 -29.81 39.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.868 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 76.5 m-20 -80.05 -28.41 39.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.938 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.93 -13.99 60.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.096 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.2 pp -118.8 -6.21 10.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.909 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 47.1 m -90.14 -30.84 17.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.858 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -94.39 -37.75 11.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.917 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.448 HG22 ' OD1' ' A' ' 63' ' ' ASN . 23.3 mm -76.91 -26.87 16.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.1 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.3 mm? 57.84 55.57 5.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.912 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . 0.448 ' OD1' HG22 ' A' ' 61' ' ' ILE . 92.7 m-20 -91.58 -46.87 7.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.912 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.16 149.88 47.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.886 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.24 154.28 6.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.912 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 8.2 mp -78.28 163.63 25.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.894 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -177.38 175.92 1.39 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 179.822 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 63.4 p -106.63 120.01 40.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.865 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 21.9 pt -151.47 169.96 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.145 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.5 t -88.01 126.2 34.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.849 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.732 HD13 HG21 ' A' ' 54' ' ' VAL . 8.8 mt -117.95 116.04 50.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.107 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 5.8 tttt -97.69 135.98 38.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.913 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 19.7 p -99.1 116.01 30.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.134 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 4.9 mp -113.97 147.31 17.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.078 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.6 p . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.872 -179.925 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 40.3 m . . . . . 0 C--O 1.23 0.057 0 CA-C-O 120.893 0.377 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -60.8 -24.88 66.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.153 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -67.86 -24.87 65.29 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.898 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -79.77 -20.77 45.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.872 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.549 HD23 ' CG1' ' A' ' 23' ' ' ILE . 23.1 tp -52.84 -29.73 29.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.905 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.77 ' HA ' HG21 ' A' ' 21' ' ' ILE . 5.2 pt-20 -74.86 -33.9 62.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 27.5 mmmt -50.22 -31.23 13.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.939 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.652 HG23 ' OD1' ' A' ' 63' ' ' ASN . 4.6 mp -72.47 -68.2 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.16 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 18.9 mt -51.86 -33.08 34.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.951 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.0 mtpt -52.46 -29.14 23.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.909 179.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.9 mmmm -58.16 -29.54 65.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.914 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.7 t -110.01 -51.27 2.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.856 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.557 ' CB ' HD11 ' A' ' 37' ' ' ILE . 15.6 m-85 -112.64 77.04 2.27 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.676 0.75 . . . . 0.0 110.865 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 -50.1 0.49 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.706 2.271 . . . . 0.0 112.315 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.6 m -65.44 -23.33 66.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.838 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.7 m -60.7 170.24 1.53 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.875 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 84.8 t -111.35 95.98 4.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.145 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.77 HG21 ' HA ' ' A' ' 9' ' ' GLU . 6.4 mt -84.5 127.75 39.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.133 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 15.2 ttmm -150.06 154.78 38.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.856 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.549 ' CG1' HD23 ' A' ' 8' ' ' LEU . 4.0 mp -111.82 149.15 14.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.15 179.832 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.653 ' HB ' ' HB3' ' A' ' 34' ' ' ALA . 6.6 m -124.9 139.18 54.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.158 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -90.45 89.76 7.72 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.841 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 28.0 mt -127.12 28.83 5.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.926 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.501 HG11 ' HB3' ' A' ' 32' ' ' HIS . 8.9 t -140.66 156.12 23.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.119 179.833 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -90.5 43.55 2.9 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.504 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 22.9 t0 52.86 88.18 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.801 0.334 . . . . 0.0 110.877 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -158.0 46.18 0.35 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 64.22 55.16 1.5 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.881 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.501 ' HB3' HG11 ' A' ' 27' ' ' VAL . 21.0 t60 -160.48 155.83 24.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.866 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 11.7 m-85 -159.63 152.23 21.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.653 ' HB3' ' HB ' ' A' ' 24' ' ' THR . . . -100.05 99.92 10.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.107 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.433 ' HG ' HD21 ' A' ' 8' ' ' LEU . 0.4 OUTLIER -84.4 140.88 31.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.928 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -138.61 117.14 12.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.85 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.557 HD11 ' CB ' ' A' ' 16' ' ' PHE . 16.8 tt -118.12 143.82 27.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.145 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.6 m -116.98 99.86 7.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.864 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -124.29 171.69 9.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.848 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -127.12 15.52 7.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.134 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 22.6 mt-30 -103.76 -21.52 13.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.911 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 1.3 p90 -58.27 -21.81 50.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.893 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 12.9 m-80 -51.12 109.45 0.33 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.915 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 116.08 -12.85 16.94 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.49 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 80.0 mt -94.66 173.08 7.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.818 0.342 . . . . 0.0 110.968 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 19.8 t -106.41 167.03 10.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.835 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -55.61 -25.73 40.29 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.951 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 50.7 mm -81.87 -42.35 19.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.14 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 -65.22 -38.55 90.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 15.4 mt-30 -65.65 -39.64 91.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.873 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.777 ' CE1' HD12 ' A' ' 71' ' ' ILE . 5.3 t-80 -80.05 -24.67 40.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 16.5 mttm -80.19 -45.14 18.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.904 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 13.0 mt -51.29 -52.76 42.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.928 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.788 HG21 HD13 ' A' ' 71' ' ' ILE . 20.6 m -55.54 -32.31 30.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.134 179.834 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.685 ' HE2' HD21 ' A' ' 58' ' ' LEU . 5.4 mmpt? -79.99 -28.26 39.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.924 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 82.0 m-20 -79.66 -38.25 34.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.88 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.86 -16.47 58.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.116 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.685 HD21 ' HE2' ' A' ' 55' ' ' LYS . 4.0 pp -113.28 -12.67 13.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 37.8 t -81.96 -25.23 35.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.886 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -93.45 -39.92 10.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.855 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 20.6 mm -76.48 -25.94 16.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.175 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.2 mm? 57.78 38.55 27.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.913 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . 0.652 ' OD1' HG23 ' A' ' 11' ' ' ILE . 14.1 p30 -94.51 38.14 1.11 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.878 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.16 176.99 7.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.928 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 52.9 mtpt -106.75 161.67 14.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.941 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 7.0 mp -60.73 96.16 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.935 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -145.2 -178.44 6.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.87 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 91.1 p -149.94 120.28 7.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.821 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 21.0 pt -133.15 169.7 21.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.172 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.9 t -81.02 138.58 36.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.859 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.788 HD13 HG21 ' A' ' 54' ' ' VAL . 7.4 mt -125.88 105.96 15.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.111 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.737 ' HD3' HD11 ' A' ' 74' ' ' ILE . 24.9 tttp -90.25 133.48 34.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.874 179.848 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 11.5 p -93.95 121.55 35.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.131 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.737 HD11 ' HD3' ' A' ' 72' ' ' LYS . 4.4 mp -131.11 148.69 32.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.13 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.1 p . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.866 -179.885 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 43.3 m . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.876 0.369 . . . . 0.0 110.831 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.469 ' HB1' HG12 ' A' ' 23' ' ' ILE . . . -57.68 -26.94 62.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.08 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -66.03 -20.02 66.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.933 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 27.0 tp10 -90.22 -19.85 23.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.917 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.765 ' HA ' HD12 ' A' ' 11' ' ' ILE . 34.7 tp -51.65 -30.11 20.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.887 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.71 ' HB2' HD13 ' A' ' 21' ' ' ILE . 10.6 pt-20 -72.41 -43.28 64.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.864 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 8.7 mptt -53.05 -28.51 24.97 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.874 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.765 HD12 ' HA ' ' A' ' 8' ' ' LEU . 10.1 mt -73.04 -57.5 6.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.156 179.844 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 1.091 HD11 HD21 ' A' ' 35' ' ' LEU . 20.4 mt -65.34 -19.52 65.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.885 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.8 mtpt -70.45 -20.61 62.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.858 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 26.8 mmtt -53.14 -55.32 25.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.935 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.5 m -103.45 -23.84 13.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.841 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.433 ' CD2' HD22 ' A' ' 12' ' ' LEU . 3.2 m-85 -115.09 71.24 2.77 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.63 0.728 . . . . 0.0 110.881 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -27.11 26.95 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.654 2.236 . . . . 0.0 112.34 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.8 t -99.8 21.12 12.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.837 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.446 ' CB ' HD11 ' A' ' 37' ' ' ILE . 0.8 OUTLIER -100.37 150.88 22.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.85 -179.838 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 84.2 t -100.53 96.81 5.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.142 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.71 HD13 ' HB2' ' A' ' 9' ' ' GLU . 3.7 mp -81.54 120.58 33.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.155 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.5 tppm? -139.36 138.33 36.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.469 HG12 ' HB1' ' A' ' 5' ' ' ALA . 5.4 mp -94.73 142.69 13.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.131 179.833 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.44 ' O ' ' HB3' ' A' ' 34' ' ' ALA . 32.8 m -145.55 136.38 24.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.137 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -83.58 128.9 34.88 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.626 ' CD1' ' HB2' ' A' ' 34' ' ' ALA . 12.2 mt -103.47 -48.08 4.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.896 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 35.4 m -121.69 -34.05 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.138 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 82.2 -64.87 4.18 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.467 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 44.1 m-20 -51.98 -69.02 0.12 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.774 0.321 . . . . 0.0 110.868 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -59.99 156.14 15.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.91 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 29.2 m-20 -79.88 59.52 3.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.841 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 12.9 t60 -116.02 129.73 56.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.859 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 31.6 m-85 -116.95 124.49 49.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.931 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.626 ' HB2' ' CD1' ' A' ' 26' ' ' LEU . . . -90.03 103.81 16.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.128 179.856 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 1.091 HD21 HD11 ' A' ' 12' ' ' LEU . 21.5 tp -92.6 116.52 29.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.929 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -108.64 116.74 32.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.867 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.685 HD12 HD13 ' A' ' 12' ' ' LEU . 1.9 tt -115.64 136.12 53.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.138 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 17.9 m -129.11 129.49 45.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.855 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -163.65 171.0 16.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.904 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -97.51 32.77 2.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.105 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -116.32 -24.62 7.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -95.8 29.52 2.65 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.863 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 65.8 m-20 -77.92 -25.8 48.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.895 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -120.19 -21.8 3.34 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.454 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -51.2 164.84 0.15 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.839 0.352 . . . . 0.0 110.892 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 28.1 t -102.89 162.68 12.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.874 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -52.09 -38.1 56.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.915 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 48.7 mm -75.45 -45.16 40.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.091 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 11.1 m-20 -58.38 -50.76 72.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.872 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 20.7 mt-30 -54.93 -44.99 74.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.934 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -69.66 -23.5 63.48 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.867 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 23.0 ttmt -80.27 -46.19 16.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.87 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 79.3 mt -51.84 -54.33 30.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.927 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.894 HG21 HD13 ' A' ' 71' ' ' ILE . 16.1 m -52.13 -33.33 16.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.112 179.837 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 5.6 mmpt? -80.09 -29.43 39.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.898 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 24.0 m-20 -77.1 -37.28 54.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.913 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.558 ' O ' HD12 ' A' ' 61' ' ' ILE . . . -59.84 -19.54 51.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.089 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.759 HD22 ' HB2' ' A' ' 64' ' ' LYS . 3.8 pp -119.75 10.64 11.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.979 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 31.2 t -90.5 -34.24 15.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.834 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.51 -35.5 15.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.558 HD12 ' O ' ' A' ' 57' ' ' ALA . 3.3 mt -89.95 -16.71 8.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.125 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.5 mm? 58.32 22.79 9.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . 0.571 ' HB3' HG23 ' A' ' 11' ' ' ILE . 6.8 m-20 -51.86 -68.28 0.18 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.844 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.759 ' HB2' HD22 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -53.5 150.59 6.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.908 179.947 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 31.0 mttp -122.35 -34.65 3.25 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.883 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -51.91 169.66 0.07 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.912 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 17.1 t60 -83.69 -61.1 1.92 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.909 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.8 t -156.12 152.35 27.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.86 -179.78 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 11.3 pt -152.82 170.05 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.188 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.3 t -79.96 121.34 25.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.826 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.894 HD13 HG21 ' A' ' 54' ' ' VAL . 16.9 mt -113.38 108.61 25.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.133 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.51 ' HD3' HD11 ' A' ' 74' ' ' ILE . 23.3 tttp -88.05 135.17 33.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 179.848 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 28.5 p -100.14 123.89 44.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.116 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.51 HD11 ' HD3' ' A' ' 72' ' ' LYS . 4.7 mp -124.52 117.5 50.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.106 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.1 t . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.844 -179.913 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 31.0 m . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.882 0.372 . . . . 0.0 110.808 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.588 ' HB1' ' CD1' ' A' ' 23' ' ' ILE . . . -59.58 -24.51 63.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.114 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -66.36 -24.25 66.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.902 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.608 ' O ' HD12 ' A' ' 11' ' ' ILE . 1.9 tp10 -86.87 -27.26 23.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.873 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 19.0 tp -52.1 -30.25 25.33 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.908 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.517 ' HB2' HD13 ' A' ' 21' ' ' ILE . 3.2 pt-20 -79.41 -33.38 42.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.892 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.3 mmmm -53.41 -28.42 29.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.919 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.608 HD12 ' O ' ' A' ' 7' ' ' GLU . 4.3 mp -82.3 -34.03 11.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.157 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.855 HD11 HD11 ' A' ' 35' ' ' LEU . 30.4 mt -81.41 -13.88 57.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.904 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 9.8 mtpt -75.59 -23.59 56.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.96 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.779 ' HG3' HG21 ' A' ' 61' ' ' ILE . 42.5 mmtt -51.74 -55.04 22.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.931 179.834 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 44.8 t -103.32 -29.88 10.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.843 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -116.14 70.57 4.07 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.696 0.76 . . . . 0.0 110.901 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -50.26 0.48 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.682 2.255 . . . . 0.0 112.354 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.5 m -68.2 -25.66 65.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.833 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.433 ' CB ' HD11 ' A' ' 37' ' ' ILE . 1.0 OUTLIER -52.09 151.23 3.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.861 -179.814 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 97.3 t -100.92 94.92 3.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.11 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.517 HD13 ' HB2' ' A' ' 9' ' ' GLU . 3.8 mp -83.47 112.3 20.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.127 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.5 tppp? -133.81 136.85 44.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.588 ' CD1' ' HB1' ' A' ' 5' ' ' ALA . 5.4 mp -94.61 142.9 12.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.086 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.404 ' O ' ' HB3' ' A' ' 34' ' ' ALA . 96.7 m -134.88 144.48 47.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.191 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -93.32 107.18 19.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.844 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.701 ' CD1' HG13 ' A' ' 27' ' ' VAL . 0.6 OUTLIER -103.37 -2.3 27.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.885 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.701 HG13 ' CD1' ' A' ' 26' ' ' LEU . 20.2 m -137.15 163.22 32.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.126 179.848 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -86.23 63.79 4.12 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.502 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 24.5 t0 64.18 64.5 0.73 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.771 0.32 . . . . 0.0 110.896 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -108.68 27.86 9.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.939 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 61.0 24.05 14.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -115.96 173.5 6.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.847 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 87.3 m-85 -152.69 142.77 22.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.873 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.509 ' HB2' ' CD2' ' A' ' 26' ' ' LEU . . . -105.91 121.91 45.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.104 179.848 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.855 HD11 HD11 ' A' ' 12' ' ' LEU . 0.3 OUTLIER -93.85 136.85 33.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.955 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.416 ' H ' HD23 ' A' ' 35' ' ' LEU . 9.7 mp0 -133.55 102.6 5.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.897 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.433 HD11 ' CB ' ' A' ' 19' ' ' SER . 1.4 tt -105.66 133.22 50.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.155 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.9 t -134.36 131.42 38.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.858 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -175.7 171.68 2.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -93.75 39.59 1.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.082 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -117.17 -27.64 6.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.969 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.438 ' HA ' HD12 ' A' ' 45' ' ' LEU . 24.6 m-85 -93.6 42.09 1.09 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 31.2 m-20 -90.89 -25.56 19.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.907 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -107.79 -20.67 8.3 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.456 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.534 HD13 HD12 ' A' ' 53' ' ' LEU . 5.9 mt -76.09 165.42 24.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.788 0.328 . . . . 0.0 110.91 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 15.5 t -112.47 177.69 4.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -55.27 -26.16 38.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.922 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 49.5 mm -82.37 -58.41 3.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.12 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 9.5 m-20 -57.44 -23.62 50.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.849 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 24.0 mt-30 -80.36 -31.09 37.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.919 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.676 ' CE1' HD12 ' A' ' 71' ' ' ILE . 13.6 t-80 -80.28 -29.38 38.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.855 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 7.7 ptpt -80.28 -33.25 37.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.919 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.534 HD12 HD13 ' A' ' 45' ' ' LEU . 6.6 mt -58.59 -54.6 45.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.918 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.626 HG21 HD13 ' A' ' 71' ' ' ILE . 18.9 m -52.15 -33.34 16.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.111 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.807 ' HE2' HD21 ' A' ' 58' ' ' LEU . 3.2 mmpt? -78.78 -30.25 45.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.918 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 73.4 m-20 -74.33 -43.15 57.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.46 -20.48 55.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.132 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.807 HD21 ' HE2' ' A' ' 55' ' ' LYS . 4.4 pp -108.15 -14.57 14.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 42.0 t -90.0 -31.19 17.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.862 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -90.3 -34.74 15.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.856 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.779 HG21 ' HG3' ' A' ' 14' ' ' LYS . 48.0 mm -81.75 -19.92 10.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.093 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.3 mm? 57.83 54.68 5.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . 0.552 ' HB2' HG23 ' A' ' 11' ' ' ILE . 15.7 m-20 -100.51 -25.75 14.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.852 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 16.7 tppt? -124.61 154.1 41.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.519 ' C ' HD12 ' A' ' 66' ' ' LEU . 30.0 mmtp -88.77 -74.27 0.47 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.893 179.827 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.519 HD12 ' C ' ' A' ' 65' ' ' LYS . 4.0 mp -155.46 130.31 9.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 2.4 t-160 -167.59 137.44 2.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.86 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 4.3 p -112.6 120.11 40.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.865 -179.769 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 21.7 pt -148.47 169.74 3.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.195 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 11.7 t -80.06 138.37 36.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.82 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.676 HD12 ' CE1' ' A' ' 51' ' ' HIS . 10.2 mt -122.12 118.19 54.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.183 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 63.8 tttp -100.64 144.62 29.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.904 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 20.5 p -111.0 126.21 54.55 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.129 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 4.8 mp -130.39 128.83 64.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.146 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 77.3 p . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.888 -179.948 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 18.7 m . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.878 0.371 . . . . 0.0 110.916 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.12 -24.26 67.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.095 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -63.81 -25.07 68.01 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.417 ' O ' HD12 ' A' ' 11' ' ' ILE . 1.6 tm-20 -71.26 -19.88 62.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.891 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.64 HD23 HG13 ' A' ' 23' ' ' ILE . 37.7 tp -54.77 -25.99 31.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.903 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.667 ' HA ' HG21 ' A' ' 21' ' ' ILE . 6.3 pt-20 -78.05 -34.58 50.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.838 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 42.2 mmtm -51.77 -32.68 31.96 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.889 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.418 ' H ' HD12 ' A' ' 11' ' ' ILE . 4.6 mp -71.69 -57.35 7.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.104 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 1.059 HD11 HD21 ' A' ' 35' ' ' LEU . 29.5 mt -60.94 -23.78 65.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.5 mtpt -63.29 -32.69 74.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.87 179.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 9.0 mmpt? -51.43 -31.38 22.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.895 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.3 t -110.3 -58.65 2.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.831 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.449 ' HZ ' HD13 ' A' ' 53' ' ' LEU . 9.7 m-85 -111.99 78.7 2.4 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.654 0.74 . . . . 0.0 110.868 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -48.55 0.7 Allowed 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.665 2.243 . . . . 0.0 112.323 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.8 t -60.59 -25.11 65.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.852 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.4 p -56.35 167.01 0.74 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.857 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 91.3 t -108.73 96.39 4.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.133 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.667 HG21 ' HA ' ' A' ' 9' ' ' GLU . 4.5 mp -82.26 131.83 32.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.159 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.6 ttmm -150.0 144.58 25.91 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.64 HG13 HD23 ' A' ' 8' ' ' LEU . 4.5 mp -101.4 143.39 14.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.17 179.853 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.626 ' HB ' ' HB3' ' A' ' 34' ' ' ALA . 2.0 m -128.18 134.3 49.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.113 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -94.74 115.03 27.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.881 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.941 HD11 ' HB2' ' A' ' 34' ' ' ALA . 5.0 mp -83.22 -50.13 8.74 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.899 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 6.7 m -124.47 -39.35 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.146 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 102.49 -71.28 0.32 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.498 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -52.32 -67.68 0.23 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.762 0.315 . . . . 0.0 110.838 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -53.77 154.96 3.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.907 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -77.73 60.58 2.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.87 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.403 ' CD2' HD13 ' A' ' 26' ' ' LEU . 2.3 t-160 -109.14 120.2 41.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.854 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -123.26 113.58 19.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.896 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.941 ' HB2' HD11 ' A' ' 26' ' ' LEU . . . -93.31 99.99 12.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.145 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 1.059 HD21 HD11 ' A' ' 12' ' ' LEU . 43.9 tp -82.66 123.43 29.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -120.77 113.03 19.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 17.6 tt -117.24 145.51 22.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.119 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -128.28 123.13 33.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.855 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -146.01 177.12 9.19 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -121.63 27.69 8.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.114 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -121.18 -31.84 4.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.418 ' HA ' HD12 ' A' ' 45' ' ' LEU . 0.5 OUTLIER -64.34 -15.58 60.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.93 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 25.5 m-80 -50.93 -30.96 16.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.929 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -95.31 41.43 2.49 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.487 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.542 HD22 ' HB3' ' A' ' 49' ' ' ASN . 46.7 mt -149.84 -176.36 5.4 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.822 0.344 . . . . 0.0 110.9 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 16.0 t -121.19 174.78 6.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.843 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -56.49 -26.66 54.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.934 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.548 HG22 ' HD2' ' A' ' 52' ' ' LYS . 41.1 mm -76.77 -54.63 12.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.168 179.853 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.542 ' HB3' HD22 ' A' ' 45' ' ' LEU . 89.3 m-20 -63.66 -32.42 73.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.842 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -69.26 -42.43 75.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.957 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.78 ' CE1' HD12 ' A' ' 71' ' ' ILE . 7.4 t-80 -78.32 -25.42 46.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.548 ' HD2' HG22 ' A' ' 48' ' ' ILE . 80.3 mttt -81.11 -45.63 16.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.449 HD13 ' HZ ' ' A' ' 16' ' ' PHE . 6.9 mt -49.35 -53.62 21.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.988 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.838 HG21 HD13 ' A' ' 71' ' ' ILE . 19.3 m -53.75 -31.75 20.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.14 179.779 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 6.9 mmpt? -80.02 -29.99 39.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.945 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 75.0 m-80 -79.14 -35.09 42.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.921 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -57.0 -22.93 42.42 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.09 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.5 ' O ' HD12 ' A' ' 58' ' ' LEU . 3.9 pp -119.88 19.42 12.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.923 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 32.2 t -90.25 -21.52 22.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.897 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -99.2 -39.47 8.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.859 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 1.9 mp -87.42 -25.49 6.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.144 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.2 mm? 57.64 36.14 26.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.892 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 14.0 m-20 -51.48 -57.18 9.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.925 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.67 150.8 21.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.889 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 12.7 mtmt -60.41 -173.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -88.9 54.51 3.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.933 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 12.0 m-70 -97.69 -176.72 3.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.847 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -144.15 120.25 10.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.82 -179.784 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -134.63 170.0 20.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.096 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 28.6 t -80.44 134.95 36.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.838 HD13 HG21 ' A' ' 54' ' ' VAL . 9.1 mt -122.7 102.89 12.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.117 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 51.8 tttt -90.13 134.75 34.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.85 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 7.5 p -95.65 130.29 42.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.144 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 4.0 mp -133.93 150.37 31.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.139 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.806 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 34.0 m . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.948 0.404 . . . . 0.0 110.827 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.15 -24.24 67.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.074 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -67.24 -23.89 65.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.914 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.543 ' O ' HD12 ' A' ' 11' ' ' ILE . 3.1 tp10 -88.64 -25.02 22.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.856 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.528 HD23 HG12 ' A' ' 23' ' ' ILE . 20.1 tp -52.57 -29.44 25.61 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.889 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.605 ' HA ' HG21 ' A' ' 21' ' ' ILE . 4.4 pt-20 -74.68 -36.22 62.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 22.4 mmmt -52.88 -28.8 24.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.9 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.543 HD12 ' O ' ' A' ' 7' ' ' GLU . 5.1 mp -76.96 -43.24 32.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.118 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.722 HD11 HD21 ' A' ' 35' ' ' LEU . 27.1 mt -75.1 -17.8 60.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.929 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.7 mtpt -73.7 -22.82 59.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.924 179.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.718 ' HE2' HG21 ' A' ' 61' ' ' ILE . 5.4 mmmt -51.9 -52.13 52.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.911 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 23.0 t -105.64 -26.37 11.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.87 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -114.82 71.95 2.69 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.663 0.744 . . . . 0.0 110.875 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -50.25 0.48 Allowed 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.665 2.243 . . . . 0.0 112.35 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.8 m -67.56 -35.39 78.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.825 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.47 ' OG ' HD11 ' A' ' 37' ' ' ILE . 12.8 p -51.86 149.13 5.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.804 -179.808 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 87.2 t -100.49 113.27 35.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.114 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.605 HG21 ' HA ' ' A' ' 9' ' ' GLU . 4.3 mp -92.51 130.85 41.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.128 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -141.08 143.43 34.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.829 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.528 HG12 HD23 ' A' ' 8' ' ' LEU . 4.7 mp -120.7 142.88 34.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.087 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 7.3 m -141.41 130.97 23.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.126 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 52.6 m-20 -101.8 111.29 23.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.856 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.2 mp -119.3 27.46 8.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.884 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.662 HG12 ' H ' ' A' ' 29' ' ' ASP . 60.5 t -145.07 120.93 3.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.147 179.829 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -100.2 25.24 29.04 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.472 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.662 ' H ' HG12 ' A' ' 27' ' ' VAL . 10.1 t70 -114.31 -67.19 1.01 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.745 0.307 . . . . 0.0 110.863 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -103.56 161.04 14.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.927 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -76.35 74.78 3.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.827 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 4.9 m-70 -102.68 165.18 11.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 87.8 m-85 -148.86 142.69 25.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.958 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -109.48 102.99 11.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.077 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.722 HD21 HD11 ' A' ' 12' ' ' LEU . 16.3 tp -80.09 143.86 33.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.955 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -137.11 105.14 5.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.868 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.47 HD11 ' OG ' ' A' ' 19' ' ' SER . 0.6 OUTLIER -103.13 135.47 40.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.13 179.963 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.1 m -135.88 122.81 21.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -176.28 173.0 2.21 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.865 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -101.51 42.28 1.14 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.136 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -115.83 -24.49 8.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.855 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.5 ' HA ' HD12 ' A' ' 45' ' ' LEU . 92.8 m-85 -95.74 26.03 4.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.878 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 29.0 m-20 -84.22 118.42 24.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.879 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 96.39 18.17 31.7 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.497 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.5 HD12 ' HA ' ' A' ' 42' ' ' PHE . 68.2 mt -109.68 170.7 7.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.849 0.357 . . . . 0.0 110.875 -179.885 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 23.2 t -102.7 160.87 14.2 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.822 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -51.98 -30.49 25.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.901 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 50.7 mm -77.41 -44.44 30.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.136 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 91.2 m-20 -62.26 -42.44 99.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.924 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 15.2 mt-30 -64.03 -41.41 97.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.917 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.535 ' NE2' HD12 ' A' ' 71' ' ' ILE . 1.7 t60 -75.22 -25.19 57.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.825 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 21.5 ttmt -80.14 -44.45 19.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.925 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 14.3 mt -51.97 -54.67 26.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.91 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.657 HG21 HG21 ' A' ' 71' ' ' ILE . 19.7 m -52.51 -33.55 18.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.117 179.839 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.759 ' HE2' HD21 ' A' ' 58' ' ' LEU . 4.0 mmpt? -79.93 -28.43 39.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 39.7 m-20 -76.91 -42.12 40.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.929 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.3 -21.06 59.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.092 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.759 HD21 ' HE2' ' A' ' 55' ' ' LYS . 4.6 pp -109.67 -8.96 14.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 30.7 t -90.02 0.11 57.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.878 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -108.64 -44.78 3.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.926 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.718 HG21 ' HE2' ' A' ' 14' ' ' LYS . 5.7 mt -93.77 -22.97 5.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.106 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.435 ' HA ' HD11 ' A' ' 66' ' ' LEU . 3.9 mp 46.64 47.13 14.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.972 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 -51.81 -71.39 0.07 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.933 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -173.7 -174.4 0.96 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.911 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.512 ' HD3' HD13 ' A' ' 8' ' ' LEU . 0.0 OUTLIER 52.08 39.53 26.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.909 179.843 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.646 HD22 HD13 ' A' ' 58' ' ' LEU . 8.1 mt -100.62 87.35 3.33 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.891 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 35.1 m-70 -139.45 -74.88 0.36 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.853 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 4.0 p -179.47 119.91 0.07 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 -179.743 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 6.1 pt -151.54 166.43 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.099 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 10.5 t -83.34 137.47 33.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.873 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.672 HG23 HD23 ' A' ' 35' ' ' LEU . 5.1 mt -120.44 120.37 62.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.137 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.53 ' CD ' HD11 ' A' ' 74' ' ' ILE . 34.7 tttp -101.1 140.82 34.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.917 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 19.4 p -105.72 131.68 52.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.179 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.53 HD11 ' CD ' ' A' ' 72' ' ' LYS . 4.6 mp -140.58 121.5 14.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.124 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 83.3 p . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.859 -179.944 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 37.4 m . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.922 0.392 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 1.076 ' HB1' HD13 ' A' ' 23' ' ' ILE . . . -57.57 -30.68 65.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.117 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 22.7 pt-20 -59.85 -25.23 64.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.89 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -72.26 -28.54 63.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.907 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.732 HD23 HG13 ' A' ' 23' ' ' ILE . 21.5 tp -74.14 -47.5 35.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.905 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.708 ' HA ' HG21 ' A' ' 21' ' ' ILE . 10.5 pt-20 -61.69 -37.55 84.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.873 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 31.2 mmtm -58.64 -27.02 64.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.883 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.682 HG23 ' CG ' ' A' ' 63' ' ' ASN . 37.8 mt -68.98 -46.95 78.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.123 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.91 HD11 HD21 ' A' ' 35' ' ' LEU . 14.4 mt -68.51 -30.73 69.62 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.931 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 21.2 mtpt -51.06 -34.99 32.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.86 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.686 ' HG2' HG21 ' A' ' 61' ' ' ILE . 5.3 mptt -51.32 -32.12 24.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.91 179.849 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.3 t -110.09 -58.49 2.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.86 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.561 ' HZ ' HD13 ' A' ' 53' ' ' LEU . 13.4 m-85 -111.17 80.62 2.48 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.627 0.727 . . . . 0.0 110.893 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -25.4 28.46 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.701 2.268 . . . . 0.0 112.29 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.2 t -87.22 -20.99 26.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.882 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.464 ' CB ' HD11 ' A' ' 37' ' ' ILE . 2.3 m -57.94 163.27 2.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.877 -179.837 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 91.1 t -108.55 94.35 3.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.119 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.708 HG21 ' HA ' ' A' ' 9' ' ' GLU . 3.6 mp -80.7 123.02 36.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.158 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 6.7 ttmt -133.24 124.23 27.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.9 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 1.076 HD13 ' HB1' ' A' ' 5' ' ' ALA . 5.3 mp -86.59 128.08 39.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.086 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 87.8 m -139.14 138.79 37.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.115 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 60.7 m-20 -84.46 141.09 31.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.855 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.407 HD23 ' HA ' ' A' ' 26' ' ' LEU . 12.7 mt -115.63 -26.7 7.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.902 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.43 HG11 ' HB2' ' A' ' 30' ' ' GLN . 92.7 t -99.9 -68.41 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.159 179.809 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 129.1 -51.98 0.84 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.515 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -106.54 -45.57 4.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.764 0.316 . . . . 0.0 110.865 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.43 ' HB2' HG11 ' A' ' 27' ' ' VAL . 0.4 OUTLIER -61.05 157.32 15.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.969 -179.935 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -78.51 71.51 4.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.844 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 3.0 t-160 -108.15 166.54 10.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -159.92 113.6 2.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.917 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -94.67 100.18 12.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.082 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.91 HD21 HD11 ' A' ' 12' ' ' LEU . 34.6 tp -85.5 113.75 22.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.907 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -110.19 120.59 42.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.88 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.594 HD12 HD13 ' A' ' 12' ' ' LEU . 1.1 tt -104.25 139.82 24.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.139 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -132.62 112.94 12.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.884 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -177.59 -173.53 0.42 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.894 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -116.74 29.15 8.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.094 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -92.1 -2.84 56.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.912 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.497 ' HA ' HD12 ' A' ' 45' ' ' LEU . 5.2 p90 -124.07 21.78 8.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.847 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -54.35 -46.55 72.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.925 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -107.62 58.39 0.41 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.478 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.497 HD12 ' HA ' ' A' ' 42' ' ' PHE . 76.1 mt -137.79 167.19 22.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.819 0.343 . . . . 0.0 110.949 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 14.8 t -106.58 167.44 9.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.864 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -54.86 -26.13 33.36 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.903 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 40.1 mm -85.53 -41.0 15.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.141 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 8.0 m-20 -65.86 -31.42 72.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.857 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -76.54 -35.82 58.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.896 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . 0.545 ' NE2' HD12 ' A' ' 71' ' ' ILE . 2.5 t60 -80.44 -30.38 37.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 9.1 ptmm? -80.47 -30.34 37.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.928 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.561 HD13 ' HZ ' ' A' ' 16' ' ' PHE . 5.9 mt -62.8 -53.93 46.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.942 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.533 HG21 HD13 ' A' ' 71' ' ' ILE . 16.0 m -51.52 -36.12 17.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.121 179.829 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.689 ' HE2' HD21 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -74.4 -34.34 63.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.94 179.866 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 79.0 m-20 -66.15 -45.35 81.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.27 -19.4 45.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.035 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.689 HD21 ' HE2' ' A' ' 55' ' ' LYS . 4.1 pp -113.91 5.33 16.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.947 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 85.5 p -90.31 -37.85 13.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.842 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -94.24 -35.12 12.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.835 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.686 HG21 ' HG2' ' A' ' 14' ' ' LYS . 24.5 mm -76.16 -23.54 15.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.108 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.3 mm? 54.48 52.73 11.87 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.907 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . 0.682 ' CG ' HG23 ' A' ' 11' ' ' ILE . 4.1 p30 -108.08 25.06 12.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.944 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.643 ' HD2' HD13 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -152.24 151.08 30.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.884 179.925 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 39.8 mmtm -76.67 -174.39 2.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.905 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.89 -25.09 62.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.984 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -51.97 161.94 0.52 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.812 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 78.4 p -129.86 155.33 46.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.854 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -143.65 169.93 10.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.135 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.3 m -80.01 146.36 32.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.867 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.545 HD12 ' NE2' ' A' ' 51' ' ' HIS . 3.8 mt -129.89 124.54 58.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.121 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.68 ' CD ' HD11 ' A' ' 74' ' ' ILE . 61.2 tttt -106.16 150.97 25.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 179.819 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 17.8 p -117.46 116.28 26.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.188 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.68 HD11 ' CD ' ' A' ' 72' ' ' LYS . 2.6 mp -133.69 144.94 34.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.154 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.1 tpp . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.783 0.325 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 57.21 26.82 12.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.114 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.615 HD11 ' HG2' ' A' ' 7' ' ' GLU . 4.4 tt -59.36 151.91 4.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.128 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 73.9 m -54.85 151.34 8.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.892 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -68.72 -23.86 64.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.1 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -70.03 -19.93 63.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.876 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.619 ' O ' HD12 ' A' ' 11' ' ' ILE . 3.7 tp10 -88.22 -23.3 23.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.843 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.693 HD21 ' HG ' ' A' ' 35' ' ' LEU . 16.9 tp -51.18 -33.44 27.23 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.917 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -71.11 -39.57 71.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.904 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.418 ' HA ' ' HG3' ' A' ' 13' ' ' LYS . 16.5 tptt -51.13 -29.78 14.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.895 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.619 HD12 ' O ' ' A' ' 7' ' ' GLU . 4.1 mp -78.94 -44.95 24.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.148 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.51 HD11 HD11 ' A' ' 35' ' ' LEU . 13.0 mt -63.31 -16.2 59.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.418 ' HG3' ' HA ' ' A' ' 10' ' ' LYS . 0.5 OUTLIER -72.68 -25.2 61.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.864 179.838 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.6 ' HE2' HG21 ' A' ' 61' ' ' ILE . 7.1 mmtm -48.42 -46.42 37.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.922 179.851 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -110.74 -24.11 10.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.877 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 -132.67 74.94 74.07 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.697 0.76 . . . . 0.0 110.928 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.85 -50.45 0.45 Allowed 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.639 2.226 . . . . 0.0 112.344 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.9 m -67.01 -25.89 66.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.876 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -50.8 152.05 2.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.823 -179.802 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 60.0 t -98.93 104.52 16.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.114 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.696 HG23 HD21 ' A' ' 35' ' ' LEU . 4.3 mp -95.96 132.54 39.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.107 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.3 tppt? -148.56 136.34 20.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.856 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 5.4 mp -107.45 143.26 18.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.13 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 87.5 m -139.4 140.48 37.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.118 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -86.95 129.17 34.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 13.6 mt -100.43 -39.65 7.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.935 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 6.7 m -116.65 -26.81 2.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.141 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 56.84 34.52 65.32 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.494 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 78.9 m-20 -132.33 -58.31 0.94 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.776 0.322 . . . . 0.0 110.826 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -97.95 -175.74 3.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.895 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -77.6 64.62 2.95 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 11.1 t-160 -116.68 101.24 8.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.811 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -107.92 127.75 54.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.913 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -91.62 101.71 14.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.086 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.696 HD21 HG23 ' A' ' 21' ' ' ILE . 0.3 OUTLIER -79.89 139.06 37.27 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.916 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -133.33 108.3 8.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.83 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -106.27 135.03 46.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.136 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -134.79 124.64 25.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -171.48 -175.39 1.6 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.837 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -110.33 24.93 12.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.113 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -109.86 -15.55 14.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.879 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.624 ' HA ' HD12 ' A' ' 45' ' ' LEU . 4.1 m-85 -95.16 24.38 5.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.875 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 10.4 m-80 -92.55 120.76 33.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.846 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 102.95 -24.67 29.88 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.477 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.624 HD12 ' HA ' ' A' ' 42' ' ' PHE . 9.6 mt -71.07 165.28 23.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.792 0.329 . . . . 0.0 110.976 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 37.1 t -100.16 165.94 11.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.842 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -56.04 -25.41 44.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.901 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 49.3 mm -81.59 -41.04 18.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.17 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.508 ' HB3' HD22 ' A' ' 45' ' ' LEU . 24.3 m-20 -69.07 -40.53 78.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.901 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -66.66 -39.45 88.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.913 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.758 ' CE1' HD12 ' A' ' 71' ' ' ILE . 8.3 t-80 -75.68 -27.54 58.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 19.9 ttmt -80.74 -42.02 22.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.882 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 12.4 mt -51.09 -55.05 19.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.886 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.706 HG21 HD13 ' A' ' 71' ' ' ILE . 24.4 m -52.14 -33.25 16.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.123 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.588 ' HE2' HD21 ' A' ' 58' ' ' LEU . 5.7 mmpt? -80.21 -28.95 38.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.903 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 25.6 m-20 -78.03 -34.99 50.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.886 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.3 -16.77 56.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.105 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.588 HD21 ' HE2' ' A' ' 55' ' ' LYS . 3.7 pp -118.1 -5.35 10.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 43.6 t -90.11 -3.43 57.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -105.8 -44.26 4.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.872 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.6 HG21 ' HE2' ' A' ' 14' ' ' LYS . 5.0 mt -91.86 -19.66 6.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.134 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.4 HD13 ' HA ' ' A' ' 62' ' ' LEU . 4.2 mm? 57.85 40.3 26.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.924 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.456 ' HB2' HG23 ' A' ' 11' ' ' ILE . 18.2 m-20 -59.63 -51.4 69.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.934 179.853 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.449 ' NZ ' HG22 ' A' ' 3' ' ' ILE . 0.0 OUTLIER -116.98 155.52 29.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.892 179.922 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 17.4 mmmt -59.29 172.73 0.58 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.895 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 10.1 mp -94.09 115.0 27.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.906 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 32.7 m170 -138.32 -178.35 5.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.841 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 5.3 m -120.75 124.82 46.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.859 -179.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 19.5 pt -151.57 169.51 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.168 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 41.9 t -81.76 130.51 35.09 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.832 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.758 HD12 ' CE1' ' A' ' 51' ' ' HIS . 10.6 mt -121.92 101.7 10.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.121 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.443 ' HD3' HD11 ' A' ' 74' ' ' ILE . 58.8 tttt -85.18 137.45 33.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.873 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 27.9 p -104.61 130.93 52.54 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.151 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.443 HD11 ' HD3' ' A' ' 72' ' ' LYS . 5.3 mp -133.35 133.24 57.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.114 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.567 ' CB ' HD12 ' A' ' 76' ' ' ILE . 76.1 p -126.13 157.7 37.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.877 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.567 HD12 ' CB ' ' A' ' 75' ' ' SER . 5.0 mp 58.01 73.67 0.72 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.624 0.725 . . . . 0.0 111.125 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--N 1.342 0.207 0 C-N-CA 122.651 2.234 . . . . 0.0 112.365 179.894 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.4 mmt . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.781 0.324 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -97.52 152.2 19.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.106 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.453 HD11 ' HG3' ' A' ' 7' ' ' GLU . 5.7 tt -104.09 150.86 6.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.079 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 38.3 m -52.36 138.23 27.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.89 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.67 -25.65 63.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.06 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -66.16 -24.04 66.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.922 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.496 ' O ' HD12 ' A' ' 11' ' ' ILE . 10.6 tm-20 -79.45 -23.95 42.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.89 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.509 HD23 ' CG1' ' A' ' 23' ' ' ILE . 39.7 tp -51.75 -36.2 46.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.89 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.42 ' HA ' HG21 ' A' ' 21' ' ' ILE . 3.1 pt-20 -72.51 -32.76 66.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.926 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 17.7 tptp -52.16 -29.37 21.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.839 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.496 HD12 ' O ' ' A' ' 7' ' ' GLU . 5.4 mp -84.2 -31.07 7.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.09 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 1.094 HD11 HD21 ' A' ' 35' ' ' LEU . 32.4 mt -83.73 -9.96 58.47 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 11.8 mtpt -79.5 -25.06 41.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.868 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.592 ' HE3' HG21 ' A' ' 61' ' ' ILE . 15.5 mmtt -52.97 -47.3 68.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 179.861 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -107.81 -30.92 8.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -118.34 67.54 6.97 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.628 0.728 . . . . 0.0 110.914 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 -50.05 0.5 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.688 2.259 . . . . 0.0 112.325 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.7 m -68.35 -27.03 65.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.856 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.43 ' OG ' HD11 ' A' ' 37' ' ' ILE . 15.3 p -60.27 146.48 43.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.853 -179.834 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 67.9 t -93.06 108.13 19.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.137 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.575 HG23 HD11 ' A' ' 35' ' ' LEU . 4.6 mp -94.4 127.28 46.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.134 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 5.1 ttmm -142.59 139.7 31.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.853 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.509 ' CG1' HD23 ' A' ' 8' ' ' LEU . 4.9 mp -106.59 146.28 13.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.149 179.85 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.682 ' HB ' ' HB3' ' A' ' 34' ' ' ALA . 1.3 m -119.9 135.25 54.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.146 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -97.73 89.86 4.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.905 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 10.6 mt -111.07 -24.17 10.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.97 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.757 HG21 ' HB3' ' A' ' 32' ' ' HIS . 98.9 t -76.63 -74.22 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.129 179.827 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 123.4 70.28 0.23 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.481 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 15.9 t0 66.37 73.73 0.36 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.782 0.325 . . . . 0.0 110.903 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.56 ' HB3' HG11 ' A' ' 27' ' ' VAL . 0.0 OUTLIER -159.38 163.69 35.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.869 -179.907 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -57.79 -24.33 56.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.87 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.757 ' HB3' HG21 ' A' ' 27' ' ' VAL . 10.5 t60 -77.72 136.96 38.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.862 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -151.44 151.55 31.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.682 ' HB3' ' HB ' ' A' ' 24' ' ' THR . . . -98.82 106.49 18.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.055 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 1.094 HD21 HD11 ' A' ' 12' ' ' LEU . 19.8 tp -101.26 114.46 28.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.952 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -112.04 115.72 29.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.913 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.43 HD11 ' OG ' ' A' ' 19' ' ' SER . 17.2 tt -112.84 144.57 20.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.108 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 6.6 m -126.11 101.78 6.93 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -130.15 155.86 45.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.876 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -95.05 23.99 5.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.104 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 12.8 mt-30 -108.25 -18.16 13.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.923 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.566 ' HD1' HD12 ' A' ' 45' ' ' LEU . 8.2 m-85 -95.67 26.86 3.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.904 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 51.1 m-20 -86.87 56.25 3.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.874 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 158.35 -22.08 0.35 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.447 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.566 HD12 ' HD1' ' A' ' 42' ' ' PHE . 45.8 mt -62.98 176.06 0.77 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.869 0.366 . . . . 0.0 110.863 -179.853 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -104.8 158.57 16.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.912 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -52.22 -30.24 26.49 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.878 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 51.1 mm -76.57 -47.66 28.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.127 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 32.7 m-20 -61.77 -39.61 92.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.924 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -65.55 -43.54 89.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.876 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.547 ' NE2' HD12 ' A' ' 71' ' ' ILE . 1.5 t60 -72.37 -26.29 61.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.854 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 14.8 ttmt -80.34 -44.67 19.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.909 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 25.6 mt -51.57 -54.58 25.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.947 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.788 HG21 HD13 ' A' ' 71' ' ' ILE . 20.3 m -52.49 -33.46 17.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.099 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.811 ' HE2' HD21 ' A' ' 58' ' ' LEU . 5.7 mmpt? -80.03 -28.29 39.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.929 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 33.0 m-20 -77.71 -39.51 44.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.863 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.03 -19.87 54.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.124 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.811 HD21 ' HE2' ' A' ' 55' ' ' LYS . 4.5 pp -108.96 -23.48 11.69 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.918 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.476 ' N ' HD12 ' A' ' 58' ' ' LEU . 28.0 t -82.45 -26.49 32.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.898 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -89.96 -32.6 16.74 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.85 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.592 HG21 ' HE3' ' A' ' 14' ' ' LYS . 26.2 mm -89.36 -15.61 8.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.135 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.3 mm? 57.84 32.34 21.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.406 ' HB2' HG23 ' A' ' 11' ' ' ILE . 13.4 m-20 -74.91 -25.56 59.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.904 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.68 153.18 1.75 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.882 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.4 mmmp? -126.77 78.65 1.81 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.895 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -69.78 147.14 50.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.918 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 18.3 t-160 -64.44 -62.41 1.61 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 21.4 p -178.99 120.18 0.08 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.854 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 20.9 pt -135.77 166.83 26.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.173 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 41.6 t -80.11 122.23 26.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.832 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.788 HD13 HG21 ' A' ' 54' ' ' VAL . 17.6 mt -113.39 110.28 31.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.095 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.475 ' HD3' HD11 ' A' ' 74' ' ' ILE . 56.0 tttt -91.22 141.04 29.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.885 179.82 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 19.7 p -105.18 125.92 51.51 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.104 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.475 HD11 ' HD3' ' A' ' 72' ' ' LYS . 5.4 mp -130.49 130.1 64.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.109 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 9.1 p -137.86 145.55 42.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.91 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 7.1 pt -146.71 155.96 48.44 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.652 0.739 . . . . 0.0 111.134 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--N 1.341 0.177 0 C-N-CA 122.75 2.3 . . . . 0.0 112.32 179.881 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.1 ptt? . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.799 0.333 . . . . 0.0 110.837 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -115.43 153.24 31.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.106 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.4 tt -138.26 150.81 24.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.109 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 35.0 m -58.04 135.37 56.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.846 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.754 ' HB1' HD13 ' A' ' 23' ' ' ILE . . . -54.5 -28.19 43.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.055 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 18.6 pt-20 -61.33 -20.06 62.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.896 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 14.2 tp10 -80.11 -31.37 39.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.865 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.542 HD23 ' CG1' ' A' ' 23' ' ' ILE . 49.6 tp -73.63 -37.17 65.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.911 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.597 ' HA ' HG21 ' A' ' 21' ' ' ILE . 11.2 pt-20 -69.31 -32.73 72.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.873 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 36.8 mmtt -50.08 -31.35 12.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.6 mp -70.89 -68.87 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.086 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.951 HD11 HD21 ' A' ' 35' ' ' LEU . 59.7 mt -52.41 -32.3 38.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.935 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.9 mtpt -53.57 -27.45 26.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.907 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 16.6 mmtm -52.45 -38.78 60.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 29.1 t -109.91 -48.12 3.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.827 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -112.9 75.97 2.11 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.588 0.709 . . . . 0.0 110.854 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 -47.8 0.86 Allowed 'Trans proline' 0 C--O 1.231 0.138 0 C-N-CA 122.685 2.257 . . . . 0.0 112.334 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.3 p -64.59 -27.36 68.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.861 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -51.85 158.38 1.02 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.896 -179.822 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 95.8 t -98.99 94.96 3.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.167 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.597 HG21 ' HA ' ' A' ' 9' ' ' GLU . 3.7 mp -90.26 109.84 21.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.139 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.1 ttmm -133.33 151.26 51.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.754 HD13 ' HB1' ' A' ' 5' ' ' ALA . 5.3 mp -114.1 134.83 55.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.095 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 87.7 m -133.0 142.07 48.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.14 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 16.5 p-10 -79.56 131.75 36.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.454 HD12 ' CE1' ' A' ' 32' ' ' HIS . 10.4 mt -96.22 -54.86 3.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.897 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 6.6 m -115.81 -39.25 2.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.114 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 72.73 39.61 55.04 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.471 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -117.75 -38.58 3.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.697 0.284 . . . . 0.0 110.862 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 2.0 pp0? -123.83 34.02 5.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 62.55 47.71 4.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.454 ' CE1' HD12 ' A' ' 26' ' ' LEU . 2.9 t-80 -69.68 135.85 50.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 26.8 m-85 -128.65 124.1 34.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.915 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -99.11 100.11 11.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.077 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.951 HD21 HD11 ' A' ' 12' ' ' LEU . 24.6 tp -80.63 105.55 11.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -102.21 128.28 48.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.4 HG23 ' O ' ' A' ' 37' ' ' ILE . 1.3 tt -122.57 124.11 69.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.156 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.9 t -120.47 111.74 18.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.853 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -152.61 174.45 13.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.863 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -99.76 24.98 7.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.132 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -111.01 -15.92 13.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.861 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.548 ' HA ' HD12 ' A' ' 45' ' ' LEU . 21.6 m-85 -95.55 26.01 4.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 27.8 m-80 -96.69 123.94 40.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.887 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 92.58 15.89 51.23 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.486 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.694 HD22 ' HB3' ' A' ' 49' ' ' ASN . 14.8 mt -111.4 175.95 5.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.843 0.354 . . . . 0.0 110.919 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 23.2 t -106.77 175.44 5.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.853 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -63.02 -29.31 70.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.899 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 40.7 mm -82.29 -40.97 17.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.146 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.694 ' HB3' HD22 ' A' ' 45' ' ' LEU . 26.3 m-20 -65.61 -32.67 74.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.879 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 17.1 mt-30 -77.29 -34.32 55.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.913 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.578 ' NE2' HD12 ' A' ' 71' ' ' ILE . 3.0 t60 -80.41 -29.81 37.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -80.81 -30.31 35.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.863 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 11.3 mt -62.68 -53.93 47.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.927 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.657 HG21 HD13 ' A' ' 71' ' ' ILE . 15.7 m -51.13 -36.84 16.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.159 179.817 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.428 ' HE2' HD21 ' A' ' 58' ' ' LEU . 7.0 mmpt? -73.56 -34.44 65.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.937 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 -67.52 -45.11 76.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.91 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.499 ' O ' HD13 ' A' ' 61' ' ' ILE . . . -57.91 -21.04 41.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.107 179.821 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.428 HD21 ' HE2' ' A' ' 55' ' ' LYS . 4.0 pp -117.28 21.79 12.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.906 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 11.7 m -90.27 -56.99 3.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.878 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.534 ' HG2' HD12 ' A' ' 61' ' ' ILE . 5.6 pt-20 -68.02 -43.39 78.92 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.891 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.534 HD12 ' HG2' ' A' ' 60' ' ' GLU . 4.6 mp -71.75 -49.0 48.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.094 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER 63.91 42.38 6.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.901 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -51.25 -51.37 54.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.881 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 13.6 tppt? -109.22 152.42 25.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.9 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 4.0 mtpm? -128.25 143.9 51.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.923 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.5 mm? 51.66 67.38 0.97 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.886 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 34.4 p-80 -140.31 115.4 9.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.872 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 9.1 t -120.53 119.86 34.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.846 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 30.7 pt -151.42 169.98 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.143 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 2.7 t -80.36 141.97 34.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.86 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.657 HD13 HG21 ' A' ' 54' ' ' VAL . 6.5 mt -119.99 108.26 22.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.12 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.452 ' HD3' HD11 ' A' ' 74' ' ' ILE . 9.8 tttp -86.11 134.95 33.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 179.847 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 19.9 p -96.11 123.9 39.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.164 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.452 HD11 ' HD3' ' A' ' 72' ' ' LYS . 4.4 mp -131.6 127.4 59.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.145 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 73.4 p -117.96 149.23 41.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.846 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.492 HG23 ' O ' ' A' ' 76' ' ' ILE . 4.5 tt -177.45 78.11 0.24 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.62 0.724 . . . . 0.0 111.126 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--N 1.341 0.169 0 C-N-CA 122.729 2.286 . . . . 0.0 112.301 179.916 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.7 mmt . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.787 0.327 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -92.82 132.96 36.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.082 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.527 HD11 ' HG2' ' A' ' 7' ' ' GLU . 6.9 tt -125.25 151.35 30.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.127 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 66.7 m -51.95 140.4 20.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.87 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 1.031 ' HB1' HD13 ' A' ' 23' ' ' ILE . . . -59.57 -29.87 68.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.041 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -63.23 -23.95 67.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.907 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.527 ' HG2' HD11 ' A' ' 3' ' ' ILE . 15.2 tp10 -85.94 -24.92 26.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.863 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.445 HD23 ' CG1' ' A' ' 23' ' ' ILE . 14.0 tp -64.92 -45.29 86.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.588 ' HA ' HG21 ' A' ' 21' ' ' ILE . 6.4 pt-20 -61.21 -33.21 73.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 18.6 mmtp -49.86 -32.18 13.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.431 HD12 ' N ' ' A' ' 11' ' ' ILE . 4.0 mp -74.17 -49.32 33.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.108 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.914 HD11 HD21 ' A' ' 35' ' ' LEU . 35.9 mt -70.25 -10.94 60.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.892 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.4 mtpt -87.71 -42.86 12.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 35.9 mmtt -53.99 -28.67 39.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.883 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 38.3 t -110.1 -48.45 3.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.824 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -113.28 75.55 2.31 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.629 0.728 . . . . 0.0 110.829 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 -24.63 29.51 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.731 2.287 . . . . 0.0 112.33 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 15.8 t -93.83 18.84 9.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.89 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 9.0 p -111.61 138.44 48.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.836 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 27.0 t -84.01 109.0 16.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.149 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.588 HG21 ' HA ' ' A' ' 9' ' ' GLU . 4.4 mt -95.1 131.11 42.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.143 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.0 tppt? -146.37 138.22 24.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.889 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 1.031 HD13 ' HB1' ' A' ' 5' ' ' ALA . 5.3 mp -105.61 138.44 30.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.146 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 22.5 m -140.72 135.1 31.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.121 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -89.74 132.27 35.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.865 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 15.2 mt -104.92 -46.24 4.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 26.1 m -128.46 154.29 39.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.168 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -112.5 33.8 5.48 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.484 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -132.29 -45.45 0.92 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.764 0.316 . . . . 0.0 110.889 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -100.61 153.56 19.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.884 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -78.18 60.72 2.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.849 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -104.01 117.84 35.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.823 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -110.16 125.02 52.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.93 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -91.39 102.63 15.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.039 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.914 HD21 HD11 ' A' ' 12' ' ' LEU . 51.8 tp -85.5 130.1 34.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.925 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.8 mp0 -120.91 112.02 18.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 11.3 tt -118.9 127.02 75.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.146 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 7.4 t -119.38 99.98 7.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.855 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -127.7 -179.06 4.74 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.892 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -127.06 32.56 5.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.048 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -115.45 -21.85 9.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.909 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.518 ' HA ' HD12 ' A' ' 45' ' ' LEU . 1.4 p90 -61.07 -18.63 58.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 8.6 m-80 -50.95 115.4 1.5 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.868 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 104.9 16.94 15.46 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.445 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.548 HD22 ' HB3' ' A' ' 49' ' ' ASN . 81.7 mt -125.82 179.04 5.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.825 0.345 . . . . 0.0 110.893 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 23.6 t -117.6 174.09 6.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.886 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -57.4 -23.79 51.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.935 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 46.0 mm -80.86 -51.11 16.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.137 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.548 ' HB3' HD22 ' A' ' 45' ' ' LEU . 88.0 m-20 -62.65 -35.46 79.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.869 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 24.9 mt-30 -67.88 -43.68 78.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.948 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.627 ' NE2' HD12 ' A' ' 71' ' ' ILE . 1.5 t60 -75.72 -25.33 56.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.823 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 17.8 mttm -80.77 -44.31 18.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.918 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 9.5 mt -48.74 -55.04 12.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.905 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.732 HG21 HD13 ' A' ' 71' ' ' ILE . 22.4 m -52.59 -32.3 16.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.13 179.814 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.4 mmpt? -79.92 -29.81 39.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.868 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 76.5 m-20 -80.05 -28.41 39.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.938 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.93 -13.99 60.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.096 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.2 pp -118.8 -6.21 10.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.909 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 47.1 m -90.14 -30.84 17.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.858 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -94.39 -37.75 11.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.917 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.448 HG22 ' OD1' ' A' ' 63' ' ' ASN . 23.3 mm -76.91 -26.87 16.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.1 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.3 mm? 57.84 55.57 5.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.912 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.448 ' OD1' HG22 ' A' ' 61' ' ' ILE . 92.7 m-20 -91.58 -46.87 7.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.912 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.16 149.88 47.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.886 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.24 154.28 6.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.912 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 8.2 mp -78.28 163.63 25.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.894 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -177.38 175.92 1.39 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 179.822 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 63.4 p -106.63 120.01 40.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.865 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 21.9 pt -151.47 169.96 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.145 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.5 t -88.01 126.2 34.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.849 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.732 HD13 HG21 ' A' ' 54' ' ' VAL . 8.8 mt -117.95 116.04 50.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.107 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 5.8 tttt -97.69 135.98 38.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.913 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 19.7 p -99.1 116.01 30.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.134 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 4.9 mp -113.97 147.31 17.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.078 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.6 p -119.37 146.23 45.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.872 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.495 HG23 ' O ' ' A' ' 76' ' ' ILE . 4.3 tt -133.68 78.2 62.11 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.659 0.742 . . . . 0.0 111.124 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--N 1.342 0.187 0 C-N-CA 122.699 2.266 . . . . 0.0 112.351 179.876 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.4 tpt . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.776 0.322 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -104.22 -62.98 1.25 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.08 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.8 tt -99.3 151.41 4.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.113 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 40.3 m -53.08 140.52 25.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.889 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -60.8 -24.88 66.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.153 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -67.86 -24.87 65.29 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.898 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -79.77 -20.77 45.48 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.872 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.549 HD23 ' CG1' ' A' ' 23' ' ' ILE . 23.1 tp -52.84 -29.73 29.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.905 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.77 ' HA ' HG21 ' A' ' 21' ' ' ILE . 5.2 pt-20 -74.86 -33.9 62.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 27.5 mmmt -50.22 -31.23 13.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.939 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.652 HG23 ' OD1' ' A' ' 63' ' ' ASN . 4.6 mp -72.47 -68.2 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.16 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 18.9 mt -51.86 -33.08 34.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.951 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.0 mtpt -52.46 -29.14 23.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.909 179.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.9 mmmm -58.16 -29.54 65.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.914 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.7 t -110.01 -51.27 2.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.856 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.557 ' CB ' HD11 ' A' ' 37' ' ' ILE . 15.6 m-85 -112.64 77.04 2.27 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.676 0.75 . . . . 0.0 110.865 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 -50.1 0.49 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.706 2.271 . . . . 0.0 112.315 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.6 m -65.44 -23.33 66.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.838 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.7 m -60.7 170.24 1.53 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.875 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 84.8 t -111.35 95.98 4.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.145 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.77 HG21 ' HA ' ' A' ' 9' ' ' GLU . 6.4 mt -84.5 127.75 39.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.133 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 15.2 ttmm -150.06 154.78 38.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.856 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.549 ' CG1' HD23 ' A' ' 8' ' ' LEU . 4.0 mp -111.82 149.15 14.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.15 179.832 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.653 ' HB ' ' HB3' ' A' ' 34' ' ' ALA . 6.6 m -124.9 139.18 54.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.158 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -90.45 89.76 7.72 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.841 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 28.0 mt -127.12 28.83 5.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.926 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.501 HG11 ' HB3' ' A' ' 32' ' ' HIS . 8.9 t -140.66 156.12 23.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.119 179.833 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -90.5 43.55 2.9 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.504 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 22.9 t0 52.86 88.18 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.801 0.334 . . . . 0.0 110.877 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -158.0 46.18 0.35 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 64.22 55.16 1.5 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.881 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.501 ' HB3' HG11 ' A' ' 27' ' ' VAL . 21.0 t60 -160.48 155.83 24.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.866 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 11.7 m-85 -159.63 152.23 21.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.653 ' HB3' ' HB ' ' A' ' 24' ' ' THR . . . -100.05 99.92 10.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.107 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.433 ' HG ' HD21 ' A' ' 8' ' ' LEU . 0.4 OUTLIER -84.4 140.88 31.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.928 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -138.61 117.14 12.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.85 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.557 HD11 ' CB ' ' A' ' 16' ' ' PHE . 16.8 tt -118.12 143.82 27.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.145 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.6 m -116.98 99.86 7.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.864 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -124.29 171.69 9.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.848 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.412 ' HB2' HG12 ' A' ' 76' ' ' ILE . . . -127.12 15.52 7.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.134 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 22.6 mt-30 -103.76 -21.52 13.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.911 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 1.3 p90 -58.27 -21.81 50.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.893 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 12.9 m-80 -51.12 109.45 0.33 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.915 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 116.08 -12.85 16.94 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.49 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 80.0 mt -94.66 173.08 7.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.818 0.342 . . . . 0.0 110.968 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 19.8 t -106.41 167.03 10.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.835 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -55.61 -25.73 40.29 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.951 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 50.7 mm -81.87 -42.35 19.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.14 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 -65.22 -38.55 90.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 15.4 mt-30 -65.65 -39.64 91.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.873 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.777 ' CE1' HD12 ' A' ' 71' ' ' ILE . 5.3 t-80 -80.05 -24.67 40.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 16.5 mttm -80.19 -45.14 18.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.904 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 13.0 mt -51.29 -52.76 42.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.928 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.788 HG21 HD13 ' A' ' 71' ' ' ILE . 20.6 m -55.54 -32.31 30.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.134 179.834 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.685 ' HE2' HD21 ' A' ' 58' ' ' LEU . 5.4 mmpt? -79.99 -28.26 39.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.924 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 82.0 m-20 -79.66 -38.25 34.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.88 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.86 -16.47 58.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.116 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.685 HD21 ' HE2' ' A' ' 55' ' ' LYS . 4.0 pp -113.28 -12.67 13.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 37.8 t -81.96 -25.23 35.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.886 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -93.45 -39.92 10.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.855 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 20.6 mm -76.48 -25.94 16.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.175 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.2 mm? 57.78 38.55 27.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.913 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.652 ' OD1' HG23 ' A' ' 11' ' ' ILE . 14.1 p30 -94.51 38.14 1.11 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.878 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.16 176.99 7.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.928 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 52.9 mtpt -106.75 161.67 14.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.941 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 7.0 mp -60.73 96.16 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.935 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -145.2 -178.44 6.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.87 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 91.1 p -149.94 120.28 7.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.821 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 21.0 pt -133.15 169.7 21.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.172 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.9 t -81.02 138.58 36.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.859 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.788 HD13 HG21 ' A' ' 54' ' ' VAL . 7.4 mt -125.88 105.96 15.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.111 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.737 ' HD3' HD11 ' A' ' 74' ' ' ILE . 24.9 tttp -90.25 133.48 34.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.874 179.848 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 11.5 p -93.95 121.55 35.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.131 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.737 HD11 ' HD3' ' A' ' 72' ' ' LYS . 4.4 mp -131.11 148.69 32.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.13 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.1 p -110.39 146.83 35.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.866 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.412 HG12 ' HB2' ' A' ' 40' ' ' ALA . 6.0 pt -51.53 155.73 2.53 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.637 0.732 . . . . 0.0 111.123 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--N 1.342 0.195 0 C-N-CA 122.658 2.238 . . . . 0.0 112.357 179.891 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.4 mmt . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.765 0.317 . . . . 0.0 110.864 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -90.01 -58.25 2.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.107 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.465 HD11 ' HG2' ' A' ' 7' ' ' GLU . 6.8 tt -157.7 152.29 7.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.131 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 43.3 m -52.97 137.45 32.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.831 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.469 ' HB1' HG12 ' A' ' 23' ' ' ILE . . . -57.68 -26.94 62.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.08 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -66.03 -20.02 66.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.933 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.465 ' HG2' HD11 ' A' ' 3' ' ' ILE . 27.0 tp10 -90.22 -19.85 23.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.917 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.765 ' HA ' HD12 ' A' ' 11' ' ' ILE . 34.7 tp -51.65 -30.11 20.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.887 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.71 ' HB2' HD13 ' A' ' 21' ' ' ILE . 10.6 pt-20 -72.41 -43.28 64.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.864 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 8.7 mptt -53.05 -28.51 24.97 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.874 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.765 HD12 ' HA ' ' A' ' 8' ' ' LEU . 10.1 mt -73.04 -57.5 6.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.156 179.844 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 1.091 HD11 HD21 ' A' ' 35' ' ' LEU . 20.4 mt -65.34 -19.52 65.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.885 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.8 mtpt -70.45 -20.61 62.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.858 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 26.8 mmtt -53.14 -55.32 25.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.935 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.5 m -103.45 -23.84 13.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.841 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.433 ' CD2' HD22 ' A' ' 12' ' ' LEU . 3.2 m-85 -115.09 71.24 2.77 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.63 0.728 . . . . 0.0 110.881 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -27.11 26.95 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.654 2.236 . . . . 0.0 112.34 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.8 t -99.8 21.12 12.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.837 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.446 ' CB ' HD11 ' A' ' 37' ' ' ILE . 0.8 OUTLIER -100.37 150.88 22.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.85 -179.838 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 84.2 t -100.53 96.81 5.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.142 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.71 HD13 ' HB2' ' A' ' 9' ' ' GLU . 3.7 mp -81.54 120.58 33.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.155 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.5 tppm? -139.36 138.33 36.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.882 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.469 HG12 ' HB1' ' A' ' 5' ' ' ALA . 5.4 mp -94.73 142.69 13.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.131 179.833 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.44 ' O ' ' HB3' ' A' ' 34' ' ' ALA . 32.8 m -145.55 136.38 24.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.137 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -83.58 128.9 34.88 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.626 ' CD1' ' HB2' ' A' ' 34' ' ' ALA . 12.2 mt -103.47 -48.08 4.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.896 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 35.4 m -121.69 -34.05 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.138 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 82.2 -64.87 4.18 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.467 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 44.1 m-20 -51.98 -69.02 0.12 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.774 0.321 . . . . 0.0 110.868 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -59.99 156.14 15.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.91 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 29.2 m-20 -79.88 59.52 3.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.841 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 12.9 t60 -116.02 129.73 56.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.859 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 31.6 m-85 -116.95 124.49 49.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.931 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.626 ' HB2' ' CD1' ' A' ' 26' ' ' LEU . . . -90.03 103.81 16.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.128 179.856 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 1.091 HD21 HD11 ' A' ' 12' ' ' LEU . 21.5 tp -92.6 116.52 29.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.929 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -108.64 116.74 32.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.867 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.685 HD12 HD13 ' A' ' 12' ' ' LEU . 1.9 tt -115.64 136.12 53.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.138 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 17.9 m -129.11 129.49 45.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.855 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -163.65 171.0 16.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.904 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -97.51 32.77 2.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.105 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -116.32 -24.62 7.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -95.8 29.52 2.65 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.863 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 65.8 m-20 -77.92 -25.8 48.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.895 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -120.19 -21.8 3.34 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.454 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -51.2 164.84 0.15 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.839 0.352 . . . . 0.0 110.892 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 28.1 t -102.89 162.68 12.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.874 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -52.09 -38.1 56.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.915 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 48.7 mm -75.45 -45.16 40.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.091 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 11.1 m-20 -58.38 -50.76 72.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.872 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 20.7 mt-30 -54.93 -44.99 74.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.934 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -69.66 -23.5 63.48 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.867 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 23.0 ttmt -80.27 -46.19 16.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.87 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 79.3 mt -51.84 -54.33 30.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.927 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.894 HG21 HD13 ' A' ' 71' ' ' ILE . 16.1 m -52.13 -33.33 16.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.112 179.837 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 5.6 mmpt? -80.09 -29.43 39.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.898 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 24.0 m-20 -77.1 -37.28 54.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.913 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.558 ' O ' HD12 ' A' ' 61' ' ' ILE . . . -59.84 -19.54 51.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.089 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.759 HD22 ' HB2' ' A' ' 64' ' ' LYS . 3.8 pp -119.75 10.64 11.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.979 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 31.2 t -90.5 -34.24 15.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.834 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.51 -35.5 15.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.558 HD12 ' O ' ' A' ' 57' ' ' ALA . 3.3 mt -89.95 -16.71 8.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.125 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.5 mm? 58.32 22.79 9.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.571 ' HB3' HG23 ' A' ' 11' ' ' ILE . 6.8 m-20 -51.86 -68.28 0.18 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.844 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.759 ' HB2' HD22 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -53.5 150.59 6.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.908 179.947 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 31.0 mttp -122.35 -34.65 3.25 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.883 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -51.91 169.66 0.07 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.912 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 17.1 t60 -83.69 -61.1 1.92 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.909 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.8 t -156.12 152.35 27.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.86 -179.78 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 11.3 pt -152.82 170.05 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.188 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.3 t -79.96 121.34 25.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.826 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.894 HD13 HG21 ' A' ' 54' ' ' VAL . 16.9 mt -113.38 108.61 25.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.133 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.51 ' HD3' HD11 ' A' ' 74' ' ' ILE . 23.3 tttp -88.05 135.17 33.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 179.848 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 28.5 p -100.14 123.89 44.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.116 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.51 HD11 ' HD3' ' A' ' 72' ' ' LYS . 4.7 mp -124.52 117.5 50.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.106 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.1 t -98.82 158.21 15.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.844 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 57.7 mt -119.77 73.9 17.98 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.589 0.709 . . . . 0.0 111.115 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--O 1.231 0.141 0 C-N-CA 122.69 2.26 . . . . 0.0 112.315 179.875 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.3 ttt . . . . . 0 N--CA 1.457 -0.081 0 CA-C-O 120.775 0.321 . . . . 0.0 110.853 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 57.1 54.29 7.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.088 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.7 tt -106.02 151.59 8.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.143 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 31.0 m -52.02 140.82 19.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.808 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.588 ' HB1' ' CD1' ' A' ' 23' ' ' ILE . . . -59.58 -24.51 63.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.114 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -66.36 -24.25 66.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.902 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.608 ' O ' HD12 ' A' ' 11' ' ' ILE . 1.9 tp10 -86.87 -27.26 23.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.873 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 19.0 tp -52.1 -30.25 25.33 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.908 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.517 ' HB2' HD13 ' A' ' 21' ' ' ILE . 3.2 pt-20 -79.41 -33.38 42.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.892 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.3 mmmm -53.41 -28.42 29.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.919 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.608 HD12 ' O ' ' A' ' 7' ' ' GLU . 4.3 mp -82.3 -34.03 11.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.157 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.855 HD11 HD11 ' A' ' 35' ' ' LEU . 30.4 mt -81.41 -13.88 57.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.904 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 9.8 mtpt -75.59 -23.59 56.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.96 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.779 ' HG3' HG21 ' A' ' 61' ' ' ILE . 42.5 mmtt -51.74 -55.04 22.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.931 179.834 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 44.8 t -103.32 -29.88 10.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.843 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -116.14 70.57 4.07 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.696 0.76 . . . . 0.0 110.901 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -50.26 0.48 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.682 2.255 . . . . 0.0 112.354 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.5 m -68.2 -25.66 65.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.833 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.433 ' CB ' HD11 ' A' ' 37' ' ' ILE . 1.0 OUTLIER -52.09 151.23 3.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.861 -179.814 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 97.3 t -100.92 94.92 3.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.11 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.517 HD13 ' HB2' ' A' ' 9' ' ' GLU . 3.8 mp -83.47 112.3 20.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.127 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.5 tppp? -133.81 136.85 44.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.588 ' CD1' ' HB1' ' A' ' 5' ' ' ALA . 5.4 mp -94.61 142.9 12.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.086 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.404 ' O ' ' HB3' ' A' ' 34' ' ' ALA . 96.7 m -134.88 144.48 47.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.191 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -93.32 107.18 19.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.844 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.701 ' CD1' HG13 ' A' ' 27' ' ' VAL . 0.6 OUTLIER -103.37 -2.3 27.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.885 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.701 HG13 ' CD1' ' A' ' 26' ' ' LEU . 20.2 m -137.15 163.22 32.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.126 179.848 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -86.23 63.79 4.12 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.502 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 24.5 t0 64.18 64.5 0.73 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.771 0.32 . . . . 0.0 110.896 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -108.68 27.86 9.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.939 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 61.0 24.05 14.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -115.96 173.5 6.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.847 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 87.3 m-85 -152.69 142.77 22.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.873 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.509 ' HB2' ' CD2' ' A' ' 26' ' ' LEU . . . -105.91 121.91 45.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.104 179.848 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.855 HD11 HD11 ' A' ' 12' ' ' LEU . 0.3 OUTLIER -93.85 136.85 33.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.955 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.416 ' H ' HD23 ' A' ' 35' ' ' LEU . 9.7 mp0 -133.55 102.6 5.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.897 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.433 HD11 ' CB ' ' A' ' 19' ' ' SER . 1.4 tt -105.66 133.22 50.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.155 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.9 t -134.36 131.42 38.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.858 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -175.7 171.68 2.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -93.75 39.59 1.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.082 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -117.17 -27.64 6.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.969 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.438 ' HA ' HD12 ' A' ' 45' ' ' LEU . 24.6 m-85 -93.6 42.09 1.09 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 31.2 m-20 -90.89 -25.56 19.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.907 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -107.79 -20.67 8.3 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.456 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.534 HD13 HD12 ' A' ' 53' ' ' LEU . 5.9 mt -76.09 165.42 24.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.788 0.328 . . . . 0.0 110.91 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 15.5 t -112.47 177.69 4.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -55.27 -26.16 38.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.922 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 49.5 mm -82.37 -58.41 3.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.12 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 9.5 m-20 -57.44 -23.62 50.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.849 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 24.0 mt-30 -80.36 -31.09 37.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.919 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.676 ' CE1' HD12 ' A' ' 71' ' ' ILE . 13.6 t-80 -80.28 -29.38 38.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.855 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 7.7 ptpt -80.28 -33.25 37.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.919 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.534 HD12 HD13 ' A' ' 45' ' ' LEU . 6.6 mt -58.59 -54.6 45.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.918 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.626 HG21 HD13 ' A' ' 71' ' ' ILE . 18.9 m -52.15 -33.34 16.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.111 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.807 ' HE2' HD21 ' A' ' 58' ' ' LEU . 3.2 mmpt? -78.78 -30.25 45.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.918 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 73.4 m-20 -74.33 -43.15 57.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.46 -20.48 55.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.132 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.807 HD21 ' HE2' ' A' ' 55' ' ' LYS . 4.4 pp -108.15 -14.57 14.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 42.0 t -90.0 -31.19 17.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.862 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -90.3 -34.74 15.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.856 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.779 HG21 ' HG3' ' A' ' 14' ' ' LYS . 48.0 mm -81.75 -19.92 10.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.093 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.3 mm? 57.83 54.68 5.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.552 ' HB2' HG23 ' A' ' 11' ' ' ILE . 15.7 m-20 -100.51 -25.75 14.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.852 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 16.7 tppt? -124.61 154.1 41.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.519 ' C ' HD12 ' A' ' 66' ' ' LEU . 30.0 mmtp -88.77 -74.27 0.47 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.893 179.827 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.519 HD12 ' C ' ' A' ' 65' ' ' LYS . 4.0 mp -155.46 130.31 9.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 2.4 t-160 -167.59 137.44 2.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.86 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 4.3 p -112.6 120.11 40.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.865 -179.769 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 21.7 pt -148.47 169.74 3.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.195 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 11.7 t -80.06 138.37 36.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.82 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.676 HD12 ' CE1' ' A' ' 51' ' ' HIS . 10.2 mt -122.12 118.19 54.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.183 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 63.8 tttp -100.64 144.62 29.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.904 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 20.5 p -111.0 126.21 54.55 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.129 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 4.8 mp -130.39 128.83 64.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.146 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 77.3 p -123.4 128.62 50.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.888 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.546 HG23 ' O ' ' A' ' 76' ' ' ILE . 4.1 tp -128.99 81.81 70.07 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.625 0.726 . . . . 0.0 111.096 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo . . . . . 0 C--O 1.232 0.188 0 C-N-CA 122.701 2.267 . . . . 0.0 112.337 179.862 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.3 ttp . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.785 0.326 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -54.12 168.79 0.2 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.107 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.5 tt -104.39 150.45 7.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.135 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 18.7 m -60.78 146.2 46.95 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.916 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.12 -24.26 67.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.095 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -63.81 -25.07 68.01 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.417 ' O ' HD12 ' A' ' 11' ' ' ILE . 1.6 tm-20 -71.26 -19.88 62.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.891 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.64 HD23 HG13 ' A' ' 23' ' ' ILE . 37.7 tp -54.77 -25.99 31.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.903 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.667 ' HA ' HG21 ' A' ' 21' ' ' ILE . 6.3 pt-20 -78.05 -34.58 50.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.838 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 42.2 mmtm -51.77 -32.68 31.96 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.889 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.418 ' H ' HD12 ' A' ' 11' ' ' ILE . 4.6 mp -71.69 -57.35 7.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.104 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 1.059 HD11 HD21 ' A' ' 35' ' ' LEU . 29.5 mt -60.94 -23.78 65.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.5 mtpt -63.29 -32.69 74.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.87 179.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 9.0 mmpt? -51.43 -31.38 22.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.895 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 3.3 t -110.3 -58.65 2.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.831 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.449 ' HZ ' HD13 ' A' ' 53' ' ' LEU . 9.7 m-85 -111.99 78.7 2.4 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.654 0.74 . . . . 0.0 110.868 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -48.55 0.7 Allowed 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.665 2.243 . . . . 0.0 112.323 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.8 t -60.59 -25.11 65.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.852 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.4 p -56.35 167.01 0.74 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.857 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 91.3 t -108.73 96.39 4.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.133 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.667 HG21 ' HA ' ' A' ' 9' ' ' GLU . 4.5 mp -82.26 131.83 32.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.159 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.6 ttmm -150.0 144.58 25.91 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.64 HG13 HD23 ' A' ' 8' ' ' LEU . 4.5 mp -101.4 143.39 14.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.17 179.853 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.626 ' HB ' ' HB3' ' A' ' 34' ' ' ALA . 2.0 m -128.18 134.3 49.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.113 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -94.74 115.03 27.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.881 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.941 HD11 ' HB2' ' A' ' 34' ' ' ALA . 5.0 mp -83.22 -50.13 8.74 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.899 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 6.7 m -124.47 -39.35 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.146 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 102.49 -71.28 0.32 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.498 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -52.32 -67.68 0.23 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.762 0.315 . . . . 0.0 110.838 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -53.77 154.96 3.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.907 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -77.73 60.58 2.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.87 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.403 ' CD2' HD13 ' A' ' 26' ' ' LEU . 2.3 t-160 -109.14 120.2 41.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.854 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -123.26 113.58 19.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.896 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.941 ' HB2' HD11 ' A' ' 26' ' ' LEU . . . -93.31 99.99 12.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.145 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 1.059 HD21 HD11 ' A' ' 12' ' ' LEU . 43.9 tp -82.66 123.43 29.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -120.77 113.03 19.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 17.6 tt -117.24 145.51 22.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.119 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -128.28 123.13 33.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.855 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -146.01 177.12 9.19 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -121.63 27.69 8.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.114 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -121.18 -31.84 4.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.418 ' HA ' HD12 ' A' ' 45' ' ' LEU . 0.5 OUTLIER -64.34 -15.58 60.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.93 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 25.5 m-80 -50.93 -30.96 16.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.929 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -95.31 41.43 2.49 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.487 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.542 HD22 ' HB3' ' A' ' 49' ' ' ASN . 46.7 mt -149.84 -176.36 5.4 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.822 0.344 . . . . 0.0 110.9 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 16.0 t -121.19 174.78 6.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.843 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -56.49 -26.66 54.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.934 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.548 HG22 ' HD2' ' A' ' 52' ' ' LYS . 41.1 mm -76.77 -54.63 12.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.168 179.853 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.542 ' HB3' HD22 ' A' ' 45' ' ' LEU . 89.3 m-20 -63.66 -32.42 73.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.842 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -69.26 -42.43 75.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.957 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.78 ' CE1' HD12 ' A' ' 71' ' ' ILE . 7.4 t-80 -78.32 -25.42 46.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.548 ' HD2' HG22 ' A' ' 48' ' ' ILE . 80.3 mttt -81.11 -45.63 16.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.449 HD13 ' HZ ' ' A' ' 16' ' ' PHE . 6.9 mt -49.35 -53.62 21.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.988 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.838 HG21 HD13 ' A' ' 71' ' ' ILE . 19.3 m -53.75 -31.75 20.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.14 179.779 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 6.9 mmpt? -80.02 -29.99 39.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.945 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 75.0 m-80 -79.14 -35.09 42.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.921 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -57.0 -22.93 42.42 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.09 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.5 ' O ' HD12 ' A' ' 58' ' ' LEU . 3.9 pp -119.88 19.42 12.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.923 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 32.2 t -90.25 -21.52 22.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.897 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -99.2 -39.47 8.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.859 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 1.9 mp -87.42 -25.49 6.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.144 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.2 mm? 57.64 36.14 26.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.892 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 14.0 m-20 -51.48 -57.18 9.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.925 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.67 150.8 21.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.889 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 12.7 mtmt -60.41 -173.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -88.9 54.51 3.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.933 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 12.0 m-70 -97.69 -176.72 3.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.847 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -144.15 120.25 10.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.82 -179.784 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -134.63 170.0 20.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.096 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 28.6 t -80.44 134.95 36.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.838 HD13 HG21 ' A' ' 54' ' ' VAL . 9.1 mt -122.7 102.89 12.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.117 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 51.8 tttt -90.13 134.75 34.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.85 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 7.5 p -95.65 130.29 42.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.144 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 4.0 mp -133.93 150.37 31.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.139 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -109.63 159.31 17.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.806 -179.844 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 8.9 pt -115.82 156.08 46.89 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.62 0.724 . . . . 0.0 111.158 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo . . . . . 0 C--O 1.231 0.175 0 C-N-CA 122.707 2.271 . . . . 0.0 112.354 179.866 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.3 ttm . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.833 0.349 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -77.11 153.47 34.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.077 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 5.8 tt -92.05 151.1 3.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.12 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 34.0 m -53.26 143.66 17.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.827 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.15 -24.24 67.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.074 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -67.24 -23.89 65.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.914 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.543 ' O ' HD12 ' A' ' 11' ' ' ILE . 3.1 tp10 -88.64 -25.02 22.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.856 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.528 HD23 HG12 ' A' ' 23' ' ' ILE . 20.1 tp -52.57 -29.44 25.61 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.889 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.605 ' HA ' HG21 ' A' ' 21' ' ' ILE . 4.4 pt-20 -74.68 -36.22 62.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 22.4 mmmt -52.88 -28.8 24.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.9 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.543 HD12 ' O ' ' A' ' 7' ' ' GLU . 5.1 mp -76.96 -43.24 32.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.118 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.722 HD11 HD21 ' A' ' 35' ' ' LEU . 27.1 mt -75.1 -17.8 60.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.929 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.7 mtpt -73.7 -22.82 59.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.924 179.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.718 ' HE2' HG21 ' A' ' 61' ' ' ILE . 5.4 mmmt -51.9 -52.13 52.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.911 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 23.0 t -105.64 -26.37 11.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.87 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -114.82 71.95 2.69 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.663 0.744 . . . . 0.0 110.875 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -50.25 0.48 Allowed 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.665 2.243 . . . . 0.0 112.35 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.8 m -67.56 -35.39 78.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.825 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.47 ' OG ' HD11 ' A' ' 37' ' ' ILE . 12.8 p -51.86 149.13 5.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.804 -179.808 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 87.2 t -100.49 113.27 35.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.114 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.605 HG21 ' HA ' ' A' ' 9' ' ' GLU . 4.3 mp -92.51 130.85 41.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.128 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -141.08 143.43 34.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.829 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.528 HG12 HD23 ' A' ' 8' ' ' LEU . 4.7 mp -120.7 142.88 34.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.087 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 7.3 m -141.41 130.97 23.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.126 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 52.6 m-20 -101.8 111.29 23.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.856 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.2 mp -119.3 27.46 8.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.884 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.662 HG12 ' H ' ' A' ' 29' ' ' ASP . 60.5 t -145.07 120.93 3.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.147 179.829 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -100.2 25.24 29.04 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.472 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.662 ' H ' HG12 ' A' ' 27' ' ' VAL . 10.1 t70 -114.31 -67.19 1.01 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.745 0.307 . . . . 0.0 110.863 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -103.56 161.04 14.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.927 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -76.35 74.78 3.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.827 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 4.9 m-70 -102.68 165.18 11.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 87.8 m-85 -148.86 142.69 25.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.958 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -109.48 102.99 11.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.077 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.722 HD21 HD11 ' A' ' 12' ' ' LEU . 16.3 tp -80.09 143.86 33.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.955 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -137.11 105.14 5.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.868 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.47 HD11 ' OG ' ' A' ' 19' ' ' SER . 0.6 OUTLIER -103.13 135.47 40.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.13 179.963 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.1 m -135.88 122.81 21.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -176.28 173.0 2.21 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.865 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -101.51 42.28 1.14 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.136 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -115.83 -24.49 8.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.855 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.5 ' HA ' HD12 ' A' ' 45' ' ' LEU . 92.8 m-85 -95.74 26.03 4.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.878 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 29.0 m-20 -84.22 118.42 24.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.879 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 96.39 18.17 31.7 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.497 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.5 HD12 ' HA ' ' A' ' 42' ' ' PHE . 68.2 mt -109.68 170.7 7.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.849 0.357 . . . . 0.0 110.875 -179.885 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 23.2 t -102.7 160.87 14.2 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.822 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -51.98 -30.49 25.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.901 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 50.7 mm -77.41 -44.44 30.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.136 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 91.2 m-20 -62.26 -42.44 99.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.924 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 15.2 mt-30 -64.03 -41.41 97.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.917 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.535 ' NE2' HD12 ' A' ' 71' ' ' ILE . 1.7 t60 -75.22 -25.19 57.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.825 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 21.5 ttmt -80.14 -44.45 19.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.925 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 14.3 mt -51.97 -54.67 26.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.91 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.657 HG21 HG21 ' A' ' 71' ' ' ILE . 19.7 m -52.51 -33.55 18.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.117 179.839 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.759 ' HE2' HD21 ' A' ' 58' ' ' LEU . 4.0 mmpt? -79.93 -28.43 39.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 39.7 m-20 -76.91 -42.12 40.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.929 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.3 -21.06 59.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.092 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.759 HD21 ' HE2' ' A' ' 55' ' ' LYS . 4.6 pp -109.67 -8.96 14.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 30.7 t -90.02 0.11 57.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.878 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -108.64 -44.78 3.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.926 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.718 HG21 ' HE2' ' A' ' 14' ' ' LYS . 5.7 mt -93.77 -22.97 5.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.106 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.435 ' HA ' HD11 ' A' ' 66' ' ' LEU . 3.9 mp 46.64 47.13 14.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.972 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 -51.81 -71.39 0.07 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.933 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -173.7 -174.4 0.96 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.911 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.512 ' HD3' HD13 ' A' ' 8' ' ' LEU . 0.0 OUTLIER 52.08 39.53 26.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.909 179.843 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.646 HD22 HD13 ' A' ' 58' ' ' LEU . 8.1 mt -100.62 87.35 3.33 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.891 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 35.1 m-70 -139.45 -74.88 0.36 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.853 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 4.0 p -179.47 119.91 0.07 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 -179.743 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 6.1 pt -151.54 166.43 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.099 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 10.5 t -83.34 137.47 33.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.873 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.672 HG23 HD23 ' A' ' 35' ' ' LEU . 5.1 mt -120.44 120.37 62.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.137 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.53 ' CD ' HD11 ' A' ' 74' ' ' ILE . 34.7 tttp -101.1 140.82 34.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.917 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 19.4 p -105.72 131.68 52.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.179 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.53 HD11 ' CD ' ' A' ' 72' ' ' LYS . 4.6 mp -140.58 121.5 14.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.124 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 83.3 p -115.55 130.6 56.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.859 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 7.9 pt -145.34 156.03 53.86 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.636 0.732 . . . . 0.0 111.123 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--N 1.342 0.187 0 C-N-CA 122.691 2.261 . . . . 0.0 112.329 179.895 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.0 mmt . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.801 0.334 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -123.22 135.45 54.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.058 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.2 tt -102.75 150.94 6.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.148 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 37.4 m -54.33 138.81 38.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.888 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 1.076 ' HB1' HD13 ' A' ' 23' ' ' ILE . . . -57.57 -30.68 65.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.117 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 22.7 pt-20 -59.85 -25.23 64.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.89 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -72.26 -28.54 63.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.907 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.732 HD23 HG13 ' A' ' 23' ' ' ILE . 21.5 tp -74.14 -47.5 35.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.905 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.708 ' HA ' HG21 ' A' ' 21' ' ' ILE . 10.5 pt-20 -61.69 -37.55 84.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.873 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 31.2 mmtm -58.64 -27.02 64.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.883 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.682 HG23 ' CG ' ' A' ' 63' ' ' ASN . 37.8 mt -68.98 -46.95 78.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.123 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.91 HD11 HD21 ' A' ' 35' ' ' LEU . 14.4 mt -68.51 -30.73 69.62 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.931 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 21.2 mtpt -51.06 -34.99 32.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.86 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.686 ' HG2' HG21 ' A' ' 61' ' ' ILE . 5.3 mptt -51.32 -32.12 24.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.91 179.849 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.3 t -110.09 -58.49 2.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.86 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.561 ' HZ ' HD13 ' A' ' 53' ' ' LEU . 13.4 m-85 -111.17 80.62 2.48 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.627 0.727 . . . . 0.0 110.893 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -25.4 28.46 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.701 2.268 . . . . 0.0 112.29 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.2 t -87.22 -20.99 26.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.882 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.464 ' CB ' HD11 ' A' ' 37' ' ' ILE . 2.3 m -57.94 163.27 2.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.877 -179.837 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 91.1 t -108.55 94.35 3.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.119 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.708 HG21 ' HA ' ' A' ' 9' ' ' GLU . 3.6 mp -80.7 123.02 36.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.158 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 6.7 ttmt -133.24 124.23 27.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.9 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 1.076 HD13 ' HB1' ' A' ' 5' ' ' ALA . 5.3 mp -86.59 128.08 39.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.086 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 87.8 m -139.14 138.79 37.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.115 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 60.7 m-20 -84.46 141.09 31.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.855 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.407 HD23 ' HA ' ' A' ' 26' ' ' LEU . 12.7 mt -115.63 -26.7 7.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.902 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.43 HG11 ' HB2' ' A' ' 30' ' ' GLN . 92.7 t -99.9 -68.41 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.159 179.809 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 129.1 -51.98 0.84 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.515 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -106.54 -45.57 4.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.764 0.316 . . . . 0.0 110.865 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.43 ' HB2' HG11 ' A' ' 27' ' ' VAL . 0.4 OUTLIER -61.05 157.32 15.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.969 -179.935 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -78.51 71.51 4.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.844 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 3.0 t-160 -108.15 166.54 10.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -159.92 113.6 2.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.917 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -94.67 100.18 12.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.082 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.91 HD21 HD11 ' A' ' 12' ' ' LEU . 34.6 tp -85.5 113.75 22.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.907 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -110.19 120.59 42.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.88 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.594 HD12 HD13 ' A' ' 12' ' ' LEU . 1.1 tt -104.25 139.82 24.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.139 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -132.62 112.94 12.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.884 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -177.59 -173.53 0.42 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.894 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -116.74 29.15 8.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.094 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -92.1 -2.84 56.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.912 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.497 ' HA ' HD12 ' A' ' 45' ' ' LEU . 5.2 p90 -124.07 21.78 8.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.847 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -54.35 -46.55 72.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.925 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -107.62 58.39 0.41 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.478 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.497 HD12 ' HA ' ' A' ' 42' ' ' PHE . 76.1 mt -137.79 167.19 22.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.819 0.343 . . . . 0.0 110.949 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 14.8 t -106.58 167.44 9.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.864 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -54.86 -26.13 33.36 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.903 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 40.1 mm -85.53 -41.0 15.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.141 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 8.0 m-20 -65.86 -31.42 72.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.857 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -76.54 -35.82 58.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.896 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . 0.545 ' NE2' HD12 ' A' ' 71' ' ' ILE . 2.5 t60 -80.44 -30.38 37.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 9.1 ptmm? -80.47 -30.34 37.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.928 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.561 HD13 ' HZ ' ' A' ' 16' ' ' PHE . 5.9 mt -62.8 -53.93 46.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.942 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.533 HG21 HD13 ' A' ' 71' ' ' ILE . 16.0 m -51.52 -36.12 17.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.121 179.829 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.689 ' HE2' HD21 ' A' ' 58' ' ' LEU . 0.0 OUTLIER -74.4 -34.34 63.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.94 179.866 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 79.0 m-20 -66.15 -45.35 81.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.27 -19.4 45.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.035 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.689 HD21 ' HE2' ' A' ' 55' ' ' LYS . 4.1 pp -113.91 5.33 16.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.947 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 85.5 p -90.31 -37.85 13.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.842 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -94.24 -35.12 12.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.835 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.686 HG21 ' HG2' ' A' ' 14' ' ' LYS . 24.5 mm -76.16 -23.54 15.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.108 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.3 mm? 54.48 52.73 11.87 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.907 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.682 ' CG ' HG23 ' A' ' 11' ' ' ILE . 4.1 p30 -108.08 25.06 12.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.944 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.643 ' HD2' HD13 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -152.24 151.08 30.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.884 179.925 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 39.8 mmtm -76.67 -174.39 2.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.905 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.89 -25.09 62.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.984 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -51.97 161.94 0.52 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.812 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 78.4 p -129.86 155.33 46.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.854 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -143.65 169.93 10.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.135 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.3 m -80.01 146.36 32.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.867 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.545 HD12 ' NE2' ' A' ' 51' ' ' HIS . 3.8 mt -129.89 124.54 58.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.121 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.68 ' CD ' HD11 ' A' ' 74' ' ' ILE . 61.2 tttt -106.16 150.97 25.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 179.819 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 17.8 p -117.46 116.28 26.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.188 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.68 HD11 ' CD ' ' A' ' 72' ' ' LYS . 2.6 mp -133.69 144.94 34.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.154 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -118.58 154.62 32.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 2.7 pp -62.35 153.09 77.5 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.602 0.715 . . . . 0.0 111.137 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo . . . . . 0 C--N 1.342 0.204 0 C-N-CA 122.639 2.226 . . . . 0.0 112.355 179.868 . . . . . . . . 0 0 . 1 stop_ save_